5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile

C18H23N3 — CID 10107774

IUPAC5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile
SMILESCN(C)C[C@@H]1CCC[C@H]1c1ccc2c(c1)c(C#N)cn2C
InChIInChI=1S/C18H23N3/c1-20(2)11-14-5-4-6-16(14)13-7-8-18-17(9-13)15(10-19)12-21(18)3/h7-9,12,14,16H,4-6,11H2,1-3H3/t14-,16-/m0/s1
InChIKeyMTLYLLNBEUJEJH-HOCLYGCPSA-N
MW281.40 g/mol
LogP3.50
Rot. Bonds3

About 5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile

5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile (PubChem CID 10107774) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile.

Molecular Properties

Compound Name5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile
PubChem CID10107774
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile
SMILESCN(C)C[C@@H]1CCC[C@H]1c1ccc2c(c1)c(C#N)cn2C
InChIInChI=1S/C18H23N3/c1-20(2)11-14-5-4-6-16(14)13-7-8-18-17(9-13)15(10-19)12-21(18)3/h7-9,12,14,16H,4-6,11H2,1-3H3/t14-,16-/m0/s1
InChIKeyMTLYLLNBEUJEJH-HOCLYGCPSA-N
XLogP3.50
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile?
The IUPAC name of 5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile (CID 10107774) is 5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile.
What is the SMILES notation for 5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile?
The canonical SMILES for 5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile is CN(C)C[C@@H]1CCC[C@H]1c1ccc2c(c1)c(C#N)cn2C.
What is the InChIKey of 5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile?
The InChIKey is MTLYLLNBEUJEJH-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H23N3/c1-20(2)11-14-5-4-6-16(14)13-7-8-18-17(9-13)15(10-19)12-21(18)3/h7-9,12,14,16H,4-6,11H2,1-3H3/t14-,16-/m0/s1.
What are the key properties of 5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile?
5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile has a molecular weight of 281.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-[(dimethylamino)methyl]cyclopentyl]-1-methylindole-3-carbonitrile is sourced from PubChem (CID 10107774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).