(E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide

C17H20N2O — CID 115880739

IUPAC(E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
SMILESCC1(C)CCC(NC(=O)/C=C/c2cccc(C#N)c2)C1
InChIInChI=1S/C17H20N2O/c1-17(2)9-8-15(11-17)19-16(20)7-6-13-4-3-5-14(10-13)12-18/h3-7,10,15H,8-9,11H2,1-2H3,(H,19,20)/b7-6+
InChIKeyLNZUHUASSFDOCG-VOTSOKGWSA-N
MW268.36 g/mol
LogP3.27
Rot. Bonds3

About (E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide

(E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide (PubChem CID 115880739) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
PubChem CID115880739
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
SMILESCC1(C)CCC(NC(=O)/C=C/c2cccc(C#N)c2)C1
InChIInChI=1S/C17H20N2O/c1-17(2)9-8-15(11-17)19-16(20)7-6-13-4-3-5-14(10-13)12-18/h3-7,10,15H,8-9,11H2,1-2H3,(H,19,20)/b7-6+
InChIKeyLNZUHUASSFDOCG-VOTSOKGWSA-N
XLogP3.27
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,3-dimethylcyclopentyl)-3-(3-methylphenyl)prop-2-enamide
CID 114550472
3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880768
(E)-3-(3-cyanophenyl)-N-(2,6-dimethylcyclohexyl)prop-2-enamide
CID 78864161
(E)-3-(3-aminophenyl)-N-(3,3-dimethylcyclohexyl)prop-2-enamide
CID 115344818
(E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide
CID 114550368
(E)-3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 114550381
(Z)-3-(3-cyanophenyl)-N-[(3R)-1,1-dioxothian-3-yl]prop-2-enamide
CID 97359258
(E)-3-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclopropyl]prop-2-enamide
CID 115764671
3-(3-oxobut-1-enyl)benzonitrile
CID 54320698
(E)-3-(3-cyanophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]prop-2-enamide
CID 51123723
3-(3-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77022338
(E)-3-(3-cyanophenyl)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]prop-2-enamide
CID 75407593

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide (CID 115880739) is (E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide is CC1(C)CCC(NC(=O)/C=C/c2cccc(C#N)c2)C1.
What is the InChIKey of (E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide?
The InChIKey is LNZUHUASSFDOCG-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2)9-8-15(11-17)19-16(20)7-6-13-4-3-5-14(10-13)12-18/h3-7,10,15H,8-9,11H2,1-2H3,(H,19,20)/b7-6+.
What are the key properties of (E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide?
(E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide has a molecular weight of 268.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide is sourced from PubChem (CID 115880739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).