7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile

C15H18N2O — CID 66519501

IUPAC7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCOc1c([C@@H]2CCCN2)cc(C#N)c2c1CCC2
InChIInChI=1S/C15H18N2O/c1-18-15-12-5-2-4-11(12)10(9-16)8-13(15)14-6-3-7-17-14/h8,14,17H,2-7H2,1H3/t14-/m0/s1
InChIKeyZXAHLHQWKCMACV-AWEZNQCLSA-N
MW242.32 g/mol
LogP2.48
Rot. Bonds2

About 7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile

7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 66519501) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Name7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID66519501
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCOc1c([C@@H]2CCCN2)cc(C#N)c2c1CCC2
InChIInChI=1S/C15H18N2O/c1-18-15-12-5-2-4-11(12)10(9-16)8-13(15)14-6-3-7-17-14/h8,14,17H,2-7H2,1H3/t14-/m0/s1
InChIKeyZXAHLHQWKCMACV-AWEZNQCLSA-N
XLogP2.48
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile 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

4-methoxy-7-[(2R)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-ol
CID 66519356
2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
CID 117418762
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820
2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
CID 84686830
2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
CID 117428409
2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
CID 82286064
2,3-dimethoxy-5-piperidin-2-ylbenzonitrile
CID 117368230
2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine
CID 165356724
2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161
2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117355654
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 117483291
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of 7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile (CID 66519501) is 7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for 7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for 7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile is COc1c([C@@H]2CCCN2)cc(C#N)c2c1CCC2.
What is the InChIKey of 7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is ZXAHLHQWKCMACV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-15-12-5-2-4-11(12)10(9-16)8-13(15)14-6-3-7-17-14/h8,14,17H,2-7H2,1H3/t14-/m0/s1.
What are the key properties of 7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile?
7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 66519501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).