9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

C18H23N3 — CID 117451851

IUPAC9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCn1c2c(c3cc(C4CCNC4)ccc31)C1CCN2CC1
InChIInChI=1S/C18H23N3/c1-20-16-3-2-13(14-4-7-19-11-14)10-15(16)17-12-5-8-21(9-6-12)18(17)20/h2-3,10,12,14,19H,4-9,11H2,1H3
InChIKeyCRYISSSXMILPRL-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.95
Rot. Bonds1

About 9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (PubChem CID 117451851) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.

Molecular Properties

Compound Name9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
PubChem CID117451851
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCn1c2c(c3cc(C4CCNC4)ccc31)C1CCN2CC1
InChIInChI=1S/C18H23N3/c1-20-16-3-2-13(14-4-7-19-11-14)10-15(16)17-12-5-8-21(9-6-12)18(17)20/h2-3,10,12,14,19H,4-9,11H2,1H3
InChIKeyCRYISSSXMILPRL-UHFFFAOYSA-N
XLogP2.95
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine
CID 117451861
9-ethyl-3-pyrrolidin-3-ylcarbazole
CID 117415894
(E)-3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)prop-2-en-1-amine
CID 117422193
4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine
CID 117455813
1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol
CID 117453952
5-bromo-1,2-dimethyl-3-piperidin-4-ylindole
CID 82278169
3-bromo-1-methyl-6-pyrrolidin-3-ylindazole
CID 117449510
1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine
CID 117366269
1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
CID 96781240
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285
5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole
CID 84633326
9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 117451850

Frequently Asked Questions

What is the IUPAC name of 9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The IUPAC name of 9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (CID 117451851) is 9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.
What is the SMILES notation for 9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The canonical SMILES for 9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is Cn1c2c(c3cc(C4CCNC4)ccc31)C1CCN2CC1.
What is the InChIKey of 9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The InChIKey is CRYISSSXMILPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-20-16-3-2-13(14-4-7-19-11-14)10-15(16)17-12-5-8-21(9-6-12)18(17)20/h2-3,10,12,14,19H,4-9,11H2,1H3.
What are the key properties of 9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene has a molecular weight of 281.40 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is sourced from PubChem (CID 117451851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).