(E)-N-methylidene-2-propylhex-2-enamide

C10H17NO — CID 141239131

IUPAC(E)-N-methylidene-2-propylhex-2-enamide
SMILESC=NC(=O)/C(=C/CCC)CCC
InChIInChI=1S/C10H17NO/c1-4-6-8-9(7-5-2)10(12)11-3/h8H,3-7H2,1-2H3/b9-8+
InChIKeyASMWRFIKTXZIMU-CMDGGOBGSA-N
MW167.25 g/mol
LogP2.74
Rot. Bonds5

About (E)-N-methylidene-2-propylhex-2-enamide

(E)-N-methylidene-2-propylhex-2-enamide (PubChem CID 141239131) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-N-methylidene-2-propylhex-2-enamide.

Molecular Properties

Compound Name(E)-N-methylidene-2-propylhex-2-enamide
PubChem CID141239131
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-N-methylidene-2-propylhex-2-enamide
SMILESC=NC(=O)/C(=C/CCC)CCC
InChIInChI=1S/C10H17NO/c1-4-6-8-9(7-5-2)10(12)11-3/h8H,3-7H2,1-2H3/b9-8+
InChIKeyASMWRFIKTXZIMU-CMDGGOBGSA-N
XLogP2.74
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N-dimethyl-2-propylhex-2-enamide
CID 102590294
(E)-2-propylhex-2-enamide
CID 22641194
2-Propylhex-2-enamide
CID 73990754
N,2-dimethylidenepentanamide
CID 89348455
2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 123909306
(2E)-2-ethylidene-N-methylidenehexanamide
CID 129137077
2-Propylhept-2-enamide
CID 153985029
3-Propylpyrrol-2-one
CID 154287731
4-ethylidene-N,N',2,3-tetramethylidene-5-propan-2-ylidenehexanediamide
CID 173361842
4-methyl-N,2,3-trimethylidenepent-4-enamide
CID 175075357
N-methylidene-2-propylhex-2-enamide
CID 175550013
N,N-dimethyl-2-propylhex-2-enamide
CID 175550014

Frequently Asked Questions

What is the IUPAC name of (E)-N-methylidene-2-propylhex-2-enamide?
The IUPAC name of (E)-N-methylidene-2-propylhex-2-enamide (CID 141239131) is (E)-N-methylidene-2-propylhex-2-enamide.
What is the SMILES notation for (E)-N-methylidene-2-propylhex-2-enamide?
The canonical SMILES for (E)-N-methylidene-2-propylhex-2-enamide is C=NC(=O)/C(=C/CCC)CCC.
What is the InChIKey of (E)-N-methylidene-2-propylhex-2-enamide?
The InChIKey is ASMWRFIKTXZIMU-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-8-9(7-5-2)10(12)11-3/h8H,3-7H2,1-2H3/b9-8+.
What are the key properties of (E)-N-methylidene-2-propylhex-2-enamide?
(E)-N-methylidene-2-propylhex-2-enamide has a molecular weight of 167.25 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methylidene-2-propylhex-2-enamide is sourced from PubChem (CID 141239131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).