(E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide

C11H19NO — CID 134349628

IUPAC(E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide
SMILESCC(C)C/C=C/C(=O)NCC1CC1
InChIInChI=1S/C11H19NO/c1-9(2)4-3-5-11(13)12-8-10-6-7-10/h3,5,9-10H,4,6-8H2,1-2H3,(H,12,13)/b5-3+
InChIKeyQKQAINPCEFDPMG-HWKANZROSA-N
MW181.28 g/mol
LogP2.11
Rot. Bonds5

About (E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide

(E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide (PubChem CID 134349628) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide.

Molecular Properties

Compound Name(E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide
PubChem CID134349628
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide
SMILESCC(C)C/C=C/C(=O)NCC1CC1
InChIInChI=1S/C11H19NO/c1-9(2)4-3-5-11(13)12-8-10-6-7-10/h3,5,9-10H,4,6-8H2,1-2H3,(H,12,13)/b5-3+
InChIKeyQKQAINPCEFDPMG-HWKANZROSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-(cyclopropylmethyl)-5-methylhex-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

(2E,4E)-7-methyl-N-(oxan-4-ylmethyl)octa-2,4-dienamide
CID 88991036
(E)-N-(cyclopropylmethyl)but-2-enamide
CID 22978312
(E)-3-cyclopropyl-N-(cyclopropylmethyl)prop-2-enamide
CID 134349428
N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide
CID 106134835
N-[(4-chlorocyclohexyl)methyl]-3-methylbutanamide
CID 106133604
N-(cyclopropylmethyl)-2-(2-methylpropylamino)acetamide
CID 28566205
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide
CID 114231575
N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide
CID 106123870
(E)-N-(azetidin-3-ylmethyl)-4-(dimethylamino)but-2-enamide
CID 178119672
N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 106124369

Frequently Asked Questions

What is the IUPAC name of (E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide?
The IUPAC name of (E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide (CID 134349628) is (E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide.
What is the SMILES notation for (E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide?
The canonical SMILES for (E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide is CC(C)C/C=C/C(=O)NCC1CC1.
What is the InChIKey of (E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide?
The InChIKey is QKQAINPCEFDPMG-HWKANZROSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)4-3-5-11(13)12-8-10-6-7-10/h3,5,9-10H,4,6-8H2,1-2H3,(H,12,13)/b5-3+.
What are the key properties of (E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide?
(E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide is sourced from PubChem (CID 134349628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).