3-pyrido[3,4-b]indol-9-ylpropanenitrile

C14H11N3 — CID 91665992

IUPAC3-pyrido[3,4-b]indol-9-ylpropanenitrile
SMILESN#CCCn1c2ccccc2c2ccncc21
InChIInChI=1S/C14H11N3/c15-7-3-9-17-13-5-2-1-4-11(13)12-6-8-16-10-14(12)17/h1-2,4-6,8,10H,3,9H2
InChIKeyIMIBDCQOJFBSTB-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.10
Rot. Bonds2

About 3-pyrido[3,4-b]indol-9-ylpropanenitrile

3-pyrido[3,4-b]indol-9-ylpropanenitrile (PubChem CID 91665992) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-pyrido[3,4-b]indol-9-ylpropanenitrile.

Molecular Properties

Compound Name3-pyrido[3,4-b]indol-9-ylpropanenitrile
PubChem CID91665992
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name3-pyrido[3,4-b]indol-9-ylpropanenitrile
SMILESN#CCCn1c2ccccc2c2ccncc21
InChIInChI=1S/C14H11N3/c15-7-3-9-17-13-5-2-1-4-11(13)12-6-8-16-10-14(12)17/h1-2,4-6,8,10H,3,9H2
InChIKeyIMIBDCQOJFBSTB-UHFFFAOYSA-N
XLogP3.10
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-phenylethyl)pyrido[3,4-b]indole
CID 162417840
9-prop-2-enylpyrido[3,4-b]indole
CID 53258041
5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole
CID 122186419
9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole
CID 159979845
9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole
CID 86059681
9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321459
9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321511
N-(pyrido[3,4-b]indol-9-ylmethyl)benzenecarbothioamide
CID 88968342
3-(17-azatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)propanenitrile
CID 125494435
3-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)propanenitrile
CID 125494385
N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride
CID 54606871
3-[(2-pyrido[3,4-b]indol-9-ylethylamino)methyl]benzoic acid
CID 139211454

Frequently Asked Questions

What is the IUPAC name of 3-pyrido[3,4-b]indol-9-ylpropanenitrile?
The IUPAC name of 3-pyrido[3,4-b]indol-9-ylpropanenitrile (CID 91665992) is 3-pyrido[3,4-b]indol-9-ylpropanenitrile.
What is the SMILES notation for 3-pyrido[3,4-b]indol-9-ylpropanenitrile?
The canonical SMILES for 3-pyrido[3,4-b]indol-9-ylpropanenitrile is N#CCCn1c2ccccc2c2ccncc21.
What is the InChIKey of 3-pyrido[3,4-b]indol-9-ylpropanenitrile?
The InChIKey is IMIBDCQOJFBSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-7-3-9-17-13-5-2-1-4-11(13)12-6-8-16-10-14(12)17/h1-2,4-6,8,10H,3,9H2.
What are the key properties of 3-pyrido[3,4-b]indol-9-ylpropanenitrile?
3-pyrido[3,4-b]indol-9-ylpropanenitrile has a molecular weight of 221.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrido[3,4-b]indol-9-ylpropanenitrile is sourced from PubChem (CID 91665992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).