(2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile

C16H18N2 — CID 125469950

IUPAC(2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile
SMILESC[C@H](C#N)n1c2c(c3ccccc31)CCCCC2
InChIInChI=1S/C16H18N2/c1-12(11-17)18-15-9-4-2-3-7-13(15)14-8-5-6-10-16(14)18/h5-6,8,10,12H,2-4,7,9H2,1H3/t12-/m1/s1
InChIKeyILYNMOVXLYAGTA-GFCCVEGCSA-N
MW238.33 g/mol
LogP3.99
Rot. Bonds1

About (2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile

(2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile (PubChem CID 125469950) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile.

Molecular Properties

Compound Name(2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile
PubChem CID125469950
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile
SMILESC[C@H](C#N)n1c2c(c3ccccc31)CCCCC2
InChIInChI=1S/C16H18N2/c1-12(11-17)18-15-9-4-2-3-7-13(15)14-8-5-6-10-16(14)18/h5-6,8,10,12H,2-4,7,9H2,1H3/t12-/m1/s1
InChIKeyILYNMOVXLYAGTA-GFCCVEGCSA-N
XLogP3.99
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate
CID 11334378
3-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)propanenitrile
CID 125494385
3-(17-azatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)propanenitrile
CID 125494435
2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 100829916
9-iodo-1,2,3,4-tetrahydrocarbazole
CID 146323792
3-methoxy-2-[1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]benzoic acid
CID 177008901
4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile
CID 69192503
(2R)-1-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propan-2-amine
CID 10220009
1,2,3,4-tetrahydrocarbazole-9-carbaldehyde
CID 12710330
9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole
CID 12711910
9-(1-hydroxyethyl)-3,4-dihydro-2H-carbazol-1-one
CID 23458163
9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole
CID 812920

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile?
The IUPAC name of (2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile (CID 125469950) is (2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile.
What is the SMILES notation for (2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile?
The canonical SMILES for (2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile is C[C@H](C#N)n1c2c(c3ccccc31)CCCCC2.
What is the InChIKey of (2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile?
The InChIKey is ILYNMOVXLYAGTA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2/c1-12(11-17)18-15-9-4-2-3-7-13(15)14-8-5-6-10-16(14)18/h5-6,8,10,12H,2-4,7,9H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile?
(2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile has a molecular weight of 238.33 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile is sourced from PubChem (CID 125469950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).