(E)-N-ethenyl-3-methylhept-2-enamide

C10H17NO — CID 121464271

IUPAC(E)-N-ethenyl-3-methylhept-2-enamide
SMILESC=CNC(=O)/C=C(\C)CCCC
InChIInChI=1S/C10H17NO/c1-4-6-7-9(3)8-10(12)11-5-2/h5,8H,2,4,6-7H2,1,3H3,(H,11,12)/b9-8+
InChIKeyUJCVTXJEGWXTPV-CMDGGOBGSA-N
MW167.25 g/mol
LogP2.38
Rot. Bonds5

About (E)-N-ethenyl-3-methylhept-2-enamide

(E)-N-ethenyl-3-methylhept-2-enamide (PubChem CID 121464271) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-N-ethenyl-3-methylhept-2-enamide.

Molecular Properties

Compound Name(E)-N-ethenyl-3-methylhept-2-enamide
PubChem CID121464271
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-N-ethenyl-3-methylhept-2-enamide
SMILESC=CNC(=O)/C=C(\C)CCCC
InChIInChI=1S/C10H17NO/c1-4-6-7-9(3)8-10(12)11-5-2/h5,8H,2,4,6-7H2,1,3H3,(H,11,12)/b9-8+
InChIKeyUJCVTXJEGWXTPV-CMDGGOBGSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-ethenyl-3-methylhept-2-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-ethenyldodecanamide
CID 21219286
[(E)-2-methylhex-1-enyl]carbamic acid
CID 20500808
methyl (Z)-3-methyloct-2-enoate
CID 14332772
(E)-4-methyldodec-3-en-2-one
CID 19609505
4-methylundec-3-en-2-one
CID 103970939
(Z)-4-methylundec-3-en-2-one
CID 121464257
ethene;hexan-2-one
CID 88765599
(Z)-12-methylhenicos-11-en-10-one
CID 122379193
(3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine
CID 155001940
propan-2-yl 3-methylhept-2-enoate
CID 123660436
3-methylpentadec-2-enamide
CID 174903366
(E)-3-methyl-N-propan-2-ylhept-2-enehydrazide
CID 118687101

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-3-methylhept-2-enamide?
The IUPAC name of (E)-N-ethenyl-3-methylhept-2-enamide (CID 121464271) is (E)-N-ethenyl-3-methylhept-2-enamide.
What is the SMILES notation for (E)-N-ethenyl-3-methylhept-2-enamide?
The canonical SMILES for (E)-N-ethenyl-3-methylhept-2-enamide is C=CNC(=O)/C=C(\C)CCCC.
What is the InChIKey of (E)-N-ethenyl-3-methylhept-2-enamide?
The InChIKey is UJCVTXJEGWXTPV-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-7-9(3)8-10(12)11-5-2/h5,8H,2,4,6-7H2,1,3H3,(H,11,12)/b9-8+.
What are the key properties of (E)-N-ethenyl-3-methylhept-2-enamide?
(E)-N-ethenyl-3-methylhept-2-enamide has a molecular weight of 167.25 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-3-methylhept-2-enamide is sourced from PubChem (CID 121464271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).