2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide

C15H15N3O — CID 107920232

IUPAC2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
SMILESN#Cc1ccc2c(ccn2CC(=O)NCC2CC2)c1
InChIInChI=1S/C15H15N3O/c16-8-12-3-4-14-13(7-12)5-6-18(14)10-15(19)17-9-11-1-2-11/h3-7,11H,1-2,9-10H2,(H,17,19)
InChIKeyWBFNJXSODRGZLO-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.04
Rot. Bonds4

About 2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide

2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide (PubChem CID 107920232) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
PubChem CID107920232
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
SMILESN#Cc1ccc2c(ccn2CC(=O)NCC2CC2)c1
InChIInChI=1S/C15H15N3O/c16-8-12-3-4-14-13(7-12)5-6-18(14)10-15(19)17-9-11-1-2-11/h3-7,11H,1-2,9-10H2,(H,17,19)
InChIKeyWBFNJXSODRGZLO-UHFFFAOYSA-N
XLogP2.04
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 116624063
2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 107919052
2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 102916396
(4-cyanophenyl)methyl 2-[[2-(5-cyanoindol-1-yl)acetyl]amino]propanoate
CID 54128846
1-[(E)-2,3-dichloroprop-2-enyl]indole-5-carbonitrile
CID 107920109
1-(3-oxobutyl)indole-5-carbonitrile
CID 107919976
methyl 5-cyanoindole-1-carboxylate
CID 15422551
2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 116623818
2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 103760377
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82903265
(Z)-4-(5-cyanoindol-1-yl)-2-methylbut-2-enoic acid
CID 107919718
1-(4-oxopentyl)indole-5-carbonitrile
CID 107919956

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide (CID 107920232) is 2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide is N#Cc1ccc2c(ccn2CC(=O)NCC2CC2)c1.
What is the InChIKey of 2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide?
The InChIKey is WBFNJXSODRGZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-8-12-3-4-14-13(7-12)5-6-18(14)10-15(19)17-9-11-1-2-11/h3-7,11H,1-2,9-10H2,(H,17,19).
What are the key properties of 2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide?
2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide has a molecular weight of 253.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 107920232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).