(Z)-N-methyl-2-methylidene-N-propylpent-3-enamide

C10H17NO — CID 87622857

IUPAC(Z)-N-methyl-2-methylidene-N-propylpent-3-enamide
SMILESC=C(/C=C\C)C(=O)N(C)CCC
InChIInChI=1S/C10H17NO/c1-5-7-9(3)10(12)11(4)8-6-2/h5,7H,3,6,8H2,1-2,4H3/b7-5-
InChIKeyGORVJTXHAAGAPW-ALCCZGGFSA-N
MW167.25 g/mol
LogP1.99
Rot. Bonds4

About (Z)-N-methyl-2-methylidene-N-propylpent-3-enamide

(Z)-N-methyl-2-methylidene-N-propylpent-3-enamide (PubChem CID 87622857) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z)-N-methyl-2-methylidene-N-propylpent-3-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-2-methylidene-N-propylpent-3-enamide
PubChem CID87622857
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z)-N-methyl-2-methylidene-N-propylpent-3-enamide
SMILESC=C(/C=C\C)C(=O)N(C)CCC
InChIInChI=1S/C10H17NO/c1-5-7-9(3)10(12)11(4)8-6-2/h5,7H,3,6,8H2,1-2,4H3/b7-5-
InChIKeyGORVJTXHAAGAPW-ALCCZGGFSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-methylidene-N-propylpent-3-enamide?
The IUPAC name of (Z)-N-methyl-2-methylidene-N-propylpent-3-enamide (CID 87622857) is (Z)-N-methyl-2-methylidene-N-propylpent-3-enamide.
What is the SMILES notation for (Z)-N-methyl-2-methylidene-N-propylpent-3-enamide?
The canonical SMILES for (Z)-N-methyl-2-methylidene-N-propylpent-3-enamide is C=C(/C=C\C)C(=O)N(C)CCC.
What is the InChIKey of (Z)-N-methyl-2-methylidene-N-propylpent-3-enamide?
The InChIKey is GORVJTXHAAGAPW-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-7-9(3)10(12)11(4)8-6-2/h5,7H,3,6,8H2,1-2,4H3/b7-5-.
What are the key properties of (Z)-N-methyl-2-methylidene-N-propylpent-3-enamide?
(Z)-N-methyl-2-methylidene-N-propylpent-3-enamide has a molecular weight of 167.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-methylidene-N-propylpent-3-enamide is sourced from PubChem (CID 87622857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).