2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide

C12H17NO — CID 123310249

IUPAC2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide
SMILESC=C(C=CC)CNC(=O)C(=C)C=CC
InChIInChI=1S/C12H17NO/c1-5-7-10(3)9-13-12(14)11(4)8-6-2/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyYGCODKHMLBENSB-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.37
Rot. Bonds5

About 2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide

2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide (PubChem CID 123310249) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide.

Molecular Properties

Compound Name2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide
PubChem CID123310249
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide
SMILESC=C(C=CC)CNC(=O)C(=C)C=CC
InChIInChI=1S/C12H17NO/c1-5-7-10(3)9-13-12(14)11(4)8-6-2/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyYGCODKHMLBENSB-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-methylidenepent-3-enamide
CID 123693857
N-[(Z)-2-methylidenepent-3-enyl]formamide
CID 143724109
(Z)-N-methoxy-2-methylidenepent-3-enamide
CID 167258609
(Z)-N-methyl-4-methylidenehept-5-enamide
CID 142368118
5-tert-butyl-N-[(Z)-2-methylidenepent-3-enyl]-1,2,4-oxadiazole-3-carboxamide;ethene
CID 145061573
N-(2-methylidenehexa-3,5-dienyl)acetamide
CID 123691592
(4Z)-3-methylidene-N-propylhexa-1,4-dien-2-amine
CID 88586508
(6Z)-3,5-dimethylideneocta-1,6-diene
CID 142353486
N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide
CID 123900688
N,N'-bis[(E)-but-2-enoyl]oxamide
CID 22157614
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 143166172
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 145140668

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide?
The IUPAC name of 2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide (CID 123310249) is 2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide.
What is the SMILES notation for 2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide?
The canonical SMILES for 2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide is C=C(C=CC)CNC(=O)C(=C)C=CC.
What is the InChIKey of 2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide?
The InChIKey is YGCODKHMLBENSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-7-10(3)9-13-12(14)11(4)8-6-2/h5-8H,3-4,9H2,1-2H3,(H,13,14).
What are the key properties of 2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide?
2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide has a molecular weight of 191.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-(2-methylidenepent-3-enyl)pent-3-enamide is sourced from PubChem (CID 123310249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).