N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide

C16H18N2O — CID 73338847

IUPACN-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
SMILESO=C(C=Cc1c[nH]c2ccccc12)NC1CCCC1
InChIInChI=1S/C16H18N2O/c19-16(18-13-5-1-2-6-13)10-9-12-11-17-15-8-4-3-7-14(12)15/h3-4,7-11,13,17H,1-2,5-6H2,(H,18,19)
InChIKeyGWZJNIXSKFURNZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.24
Rot. Bonds3

About N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide

N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide (PubChem CID 73338847) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
PubChem CID73338847
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
SMILESO=C(C=Cc1c[nH]c2ccccc12)NC1CCCC1
InChIInChI=1S/C16H18N2O/c19-16(18-13-5-1-2-6-13)10-9-12-11-17-15-8-4-3-7-14(12)15/h3-4,7-11,13,17H,1-2,5-6H2,(H,18,19)
InChIKeyGWZJNIXSKFURNZ-UHFFFAOYSA-N
XLogP3.24
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-cyclohexyl-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]propanamide
CID 6722942
(E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide
CID 71468192
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
(Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 23476689
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
3-(2-bromophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]prop-2-enamide
CID 44534103
(E)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 10647305
(E)-3-(2-chlorophenyl)-N-[4-[[(1R,5S)-3-(1H-indol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclohexyl]prop-2-enamide
CID 44534127
(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one
CID 6249312

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide?
The IUPAC name of N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide (CID 73338847) is N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide.
What is the SMILES notation for N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide?
The canonical SMILES for N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide is O=C(C=Cc1c[nH]c2ccccc12)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide?
The InChIKey is GWZJNIXSKFURNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(18-13-5-1-2-6-13)10-9-12-11-17-15-8-4-3-7-14(12)15/h3-4,7-11,13,17H,1-2,5-6H2,(H,18,19).
What are the key properties of N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide?
N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide has a molecular weight of 254.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide is sourced from PubChem (CID 73338847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).