1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile

C14H14N2 — CID 83984777

IUPAC1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile
SMILESN#Cc1c[nH]c2cc3c(cc12)CCCCC3
InChIInChI=1S/C14H14N2/c15-8-12-9-16-14-7-11-5-3-1-2-4-10(11)6-13(12)14/h6-7,9,16H,1-5H2
InChIKeyOJNZTQTUQGJVDV-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.31
Rot. Bonds

About 1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile

1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile (PubChem CID 83984777) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile.

Molecular Properties

Compound Name1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile
PubChem CID83984777
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile
SMILESN#Cc1c[nH]c2cc3c(cc12)CCCCC3
InChIInChI=1S/C14H14N2/c15-8-12-9-16-14-7-11-5-3-1-2-4-10(11)6-13(12)14/h6-7,9,16H,1-5H2
InChIKeyOJNZTQTUQGJVDV-UHFFFAOYSA-N
XLogP3.31
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile
CID 68804667
6-chloro-1H-indole-3-carbonitrile
CID 34177040
5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile
CID 87130438
6-methoxy-1H-indole-3-carbonitrile
CID 53401197
1-cyclopentyl-2-(1,5,6,7,8,9-hexahydrocyclohepta[f]indol-3-yl)ethanamine
CID 83984793
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carbonitrile
CID 140896354
3-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridine-4-carbonitrile
CID 119054196
5-pentan-3-yl-1H-indole-3-carbonitrile
CID 142876816
4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide
CID 129191371
methyl 3-cyano-1H-indole-5-carboxylate
CID 19603726
3-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propanoic acid
CID 83984491
12-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-14-carbonitrile
CID 11356637

Frequently Asked Questions

What is the IUPAC name of 1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile?
The IUPAC name of 1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile (CID 83984777) is 1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile.
What is the SMILES notation for 1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile?
The canonical SMILES for 1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile is N#Cc1c[nH]c2cc3c(cc12)CCCCC3.
What is the InChIKey of 1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile?
The InChIKey is OJNZTQTUQGJVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c15-8-12-9-16-14-7-11-5-3-1-2-4-10(11)6-13(12)14/h6-7,9,16H,1-5H2.
What are the key properties of 1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile?
1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile has a molecular weight of 210.28 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7,8,9-hexahydrocyclohepta[f]indole-3-carbonitrile is sourced from PubChem (CID 83984777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).