6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene

C22H17NO — CID 145276989

IUPAC6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene
SMILESC/C=C\c1c(C)oc2c1ccc1cc3[nH]c4ccccc4c3cc12
InChIInChI=1S/C22H17NO/c1-3-6-15-13(2)24-22-17(15)10-9-14-11-21-19(12-18(14)22)16-7-4-5-8-20(16)23-21/h3-12,23H,1-2H3/b6-3-
InChIKeyUUQRCMIWIWQUIU-UTCJRWHESA-N
MW311.38 g/mol
LogP6.56
Rot. Bonds1

About 6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene

6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene (PubChem CID 145276989) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene.

Molecular Properties

Compound Name6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene
PubChem CID145276989
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene
SMILESC/C=C\c1c(C)oc2c1ccc1cc3[nH]c4ccccc4c3cc12
InChIInChI=1S/C22H17NO/c1-3-6-15-13(2)24-22-17(15)10-9-14-11-21-19(12-18(14)22)16-7-4-5-8-20(16)23-21/h3-12,23H,1-2H3/b6-3-
InChIKeyUUQRCMIWIWQUIU-UTCJRWHESA-N
XLogP6.56
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene with MolForge

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Related Compounds

5-[(1Z)-buta-1,3-dienyl]-6-methyl-7-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 145276960
11,20-diazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5,7,9,13,15,17,19(27),21,23,25-tridecaene
CID 102495063
10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90238864
17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene
CID 164721462
3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole
CID 155417425
8-methyl-5H-benzo[b]carbazole
CID 154982200
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
3-ethenyl-2-[(Z)-prop-1-enyl]-6H-furo[3,2-c]carbazole
CID 145021144
2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-9H-pyrrolo[2,3-b]carbazole
CID 145328023
20-pyridin-2-yl-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
CID 126718360
2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene
CID 126567892
bis(9H-carbazole);ethane
CID 145072085

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene?
The IUPAC name of 6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene (CID 145276989) is 6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene.
What is the SMILES notation for 6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene?
The canonical SMILES for 6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene is C/C=C\c1c(C)oc2c1ccc1cc3[nH]c4ccccc4c3cc12.
What is the InChIKey of 6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene?
The InChIKey is UUQRCMIWIWQUIU-UTCJRWHESA-N. The full InChI is InChI=1S/C22H17NO/c1-3-6-15-13(2)24-22-17(15)10-9-14-11-21-19(12-18(14)22)16-7-4-5-8-20(16)23-21/h3-12,23H,1-2H3/b6-3-.
What are the key properties of 6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene?
6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene has a molecular weight of 311.38 g/mol, XLogP of 6.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[(Z)-prop-1-enyl]-5-oxa-14-azapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),6,9,11,15,17,19-nonaene is sourced from PubChem (CID 145276989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).