(7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene

C20H26N4 — CID 156808003

IUPAC(7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene
SMILESC=C/C1=C(\C=C/C)C2=C(c3ccccc3CN1C)N(C(C)C)NN2
InChIInChI=1S/C20H26N4/c1-6-10-17-18(7-2)23(5)13-15-11-8-9-12-16(15)20-19(17)21-22-24(20)14(3)4/h6-12,14,21-22H,2,13H2,1,3-5H3/b10-6-,18-17-
InChIKeyDNCVBWMQPWZWAQ-GCOHSWLKSA-N
MW322.46 g/mol
LogP3.55
Rot. Bonds3

About (7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene

(7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene (PubChem CID 156808003) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is (7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene.

Molecular Properties

Compound Name(7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene
PubChem CID156808003
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name(7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene
SMILESC=C/C1=C(\C=C/C)C2=C(c3ccccc3CN1C)N(C(C)C)NN2
InChIInChI=1S/C20H26N4/c1-6-10-17-18(7-2)23(5)13-15-11-8-9-12-16(15)20-19(17)21-22-24(20)14(3)4/h6-12,14,21-22H,2,13H2,1,3-5H3/b10-6-,18-17-
InChIKeyDNCVBWMQPWZWAQ-GCOHSWLKSA-N
XLogP3.55
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene with MolForge

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Related Compounds

ethane;(3Z,5Z)-3-ethenyl-5-hydrazinyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazocin-6-amine
CID 177012631
3-propan-2-yl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaene
CID 167147282
(4Z)-4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-3-azabicyclo[6.4.0]dodeca-1(12),4,8,10-tetraen-6-yne
CID 170725191
2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 58975510
(7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten
CID 177166592
8-amino-5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-1H-2-benzazepin-3-one
CID 164598410
azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine
CID 142611226
(8Z,10Z)-8,9-bis(ethenyl)-11-methyl-10-[(Z)-prop-1-enyl]tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 159429111
3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane
CID 142452538
24-ethenyl-23-[(Z)-prop-1-enyl]-1,15,25-triaza-2,16,26-triboranonacyclo[24.12.0.02,15.03,8.09,14.016,25.017,22.027,32.033,38]octatriaconta-3,5,7,9,11,13,17,19,21,23,27,29,31,33,35,37-hexadecaene
CID 174144967
2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 177033619
1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 145284483

Frequently Asked Questions

What is the IUPAC name of (7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene?
The IUPAC name of (7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene (CID 156808003) is (7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene.
What is the SMILES notation for (7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene?
The canonical SMILES for (7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene is C=C/C1=C(\C=C/C)C2=C(c3ccccc3CN1C)N(C(C)C)NN2.
What is the InChIKey of (7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene?
The InChIKey is DNCVBWMQPWZWAQ-GCOHSWLKSA-N. The full InChI is InChI=1S/C20H26N4/c1-6-10-17-18(7-2)23(5)13-15-11-8-9-12-16(15)20-19(17)21-22-24(20)14(3)4/h6-12,14,21-22H,2,13H2,1,3-5H3/b10-6-,18-17-.
What are the key properties of (7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene?
(7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene has a molecular weight of 322.46 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-8-ethenyl-9-methyl-3-propan-2-yl-7-[(Z)-prop-1-enyl]-3,4,5,9-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),7,11,13-pentaene is sourced from PubChem (CID 156808003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).