(E)-4-cyano-2-methyl-N-propylpent-2-enamide

C10H16N2O — CID 140554466

IUPAC(E)-4-cyano-2-methyl-N-propylpent-2-enamide
SMILESCCCNC(=O)/C(C)=C/C(C)C#N
InChIInChI=1S/C10H16N2O/c1-4-5-12-10(13)9(3)6-8(2)7-11/h6,8H,4-5H2,1-3H3,(H,12,13)/b9-6+
InChIKeyVPWAILJJIJKRNR-RMKNXTFCSA-N
MW180.25 g/mol
LogP1.62
Rot. Bonds4

About (E)-4-cyano-2-methyl-N-propylpent-2-enamide

(E)-4-cyano-2-methyl-N-propylpent-2-enamide (PubChem CID 140554466) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (E)-4-cyano-2-methyl-N-propylpent-2-enamide.

Molecular Properties

Compound Name(E)-4-cyano-2-methyl-N-propylpent-2-enamide
PubChem CID140554466
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(E)-4-cyano-2-methyl-N-propylpent-2-enamide
SMILESCCCNC(=O)/C(C)=C/C(C)C#N
InChIInChI=1S/C10H16N2O/c1-4-5-12-10(13)9(3)6-8(2)7-11/h6,8H,4-5H2,1-3H3,(H,12,13)/b9-6+
InChIKeyVPWAILJJIJKRNR-RMKNXTFCSA-N
XLogP1.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.62
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

(Z)-4-cyano-2-methylpent-2-enamide
CID 141223606
3,3-dicyano-2-methyl-N-propylpropanamide
CID 123543339
2-oxo-N-propylpropanamide
CID 13291521
3-cyano-N-propylbutanamide
CID 82111211
(E)-3-hydroxy-2-methyl-N-propylbut-2-enamide
CID 87242208
2-cyano-N-propylprop-2-enamide
CID 19079915
N-methylacetamide;N-propylacetamide
CID 160752156
2-(1-cyanopropan-2-ylamino)-N-propylacetamide
CID 60913977
2-(2-cyanopropylamino)-N-propylpropanamide
CID 61477003
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
(E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide
CID 142959993

Frequently Asked Questions

What is the IUPAC name of (E)-4-cyano-2-methyl-N-propylpent-2-enamide?
The IUPAC name of (E)-4-cyano-2-methyl-N-propylpent-2-enamide (CID 140554466) is (E)-4-cyano-2-methyl-N-propylpent-2-enamide.
What is the SMILES notation for (E)-4-cyano-2-methyl-N-propylpent-2-enamide?
The canonical SMILES for (E)-4-cyano-2-methyl-N-propylpent-2-enamide is CCCNC(=O)/C(C)=C/C(C)C#N.
What is the InChIKey of (E)-4-cyano-2-methyl-N-propylpent-2-enamide?
The InChIKey is VPWAILJJIJKRNR-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-5-12-10(13)9(3)6-8(2)7-11/h6,8H,4-5H2,1-3H3,(H,12,13)/b9-6+.
What are the key properties of (E)-4-cyano-2-methyl-N-propylpent-2-enamide?
(E)-4-cyano-2-methyl-N-propylpent-2-enamide has a molecular weight of 180.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyano-2-methyl-N-propylpent-2-enamide is sourced from PubChem (CID 140554466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).