3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile

C16H19N3 — CID 22638732

IUPAC3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile
SMILESCC(C1CC1c1c[nH]c2ccc(C#N)cc12)N(C)C
InChIInChI=1S/C16H19N3/c1-10(19(2)3)12-7-13(12)15-9-18-16-5-4-11(8-17)6-14(15)16/h4-6,9-10,12-13,18H,7H2,1-3H3
InChIKeyDBGSHMGMGALOBR-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.09
Rot. Bonds3

About 3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile

3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile (PubChem CID 22638732) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile
PubChem CID22638732
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile
SMILESCC(C1CC1c1c[nH]c2ccc(C#N)cc12)N(C)C
InChIInChI=1S/C16H19N3/c1-10(19(2)3)12-7-13(12)15-9-18-16-5-4-11(8-17)6-14(15)16/h4-6,9-10,12-13,18H,7H2,1-3H3
InChIKeyDBGSHMGMGALOBR-UHFFFAOYSA-N
XLogP3.09
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile (CID 22638732) is 3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile is CC(C1CC1c1c[nH]c2ccc(C#N)cc12)N(C)C.
What is the InChIKey of 3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile?
The InChIKey is DBGSHMGMGALOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-10(19(2)3)12-7-13(12)15-9-18-16-5-4-11(8-17)6-14(15)16/h4-6,9-10,12-13,18H,7H2,1-3H3.
What are the key properties of 3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile?
3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile has a molecular weight of 253.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 22638732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).