(E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide

C12H21NO — CID 103753261

IUPAC(E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NCC1(C)CCCCC1
InChIInChI=1S/C12H21NO/c1-3-7-11(14)13-10-12(2)8-5-4-6-9-12/h3,7H,4-6,8-10H2,1-2H3,(H,13,14)/b7-3+
InChIKeyNOMWAKYVLKZPMW-XVNBXDOJSA-N
MW195.31 g/mol
LogP2.65
Rot. Bonds3

About (E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide

(E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide (PubChem CID 103753261) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide
PubChem CID103753261
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NCC1(C)CCCCC1
InChIInChI=1S/C12H21NO/c1-3-7-11(14)13-10-12(2)8-5-4-6-9-12/h3,7H,4-6,8-10H2,1-2H3,(H,13,14)/b7-3+
InChIKeyNOMWAKYVLKZPMW-XVNBXDOJSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide
CID 103742481
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
2-[1-[[[(E)-but-2-enoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163727
(E)-N-(1-methylcyclohexyl)but-2-enamide
CID 143504839
(E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide
CID 103800053
(E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide
CID 114107791
(2R)-2-amino-N-[(1-methylcyclohexyl)methyl]propanamide
CID 103798136
2-amino-N-[(1-methylcyclohexyl)methyl]propanamide
CID 103798125
(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
CID 110477964
2,2-difluoro-N-[(1-methylcyclopentyl)methyl]acetamide
CID 103515473
5-[(1-methylcyclopentyl)methylamino]-5-oxopentanoic acid
CID 63822209
1-methyl-N-[(1-methylcyclobutyl)methyl]cyclopropane-1-carboxamide
CID 126990723

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide?
The IUPAC name of (E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide (CID 103753261) is (E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide.
What is the SMILES notation for (E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide?
The canonical SMILES for (E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide is C/C=C/C(=O)NCC1(C)CCCCC1.
What is the InChIKey of (E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide?
The InChIKey is NOMWAKYVLKZPMW-XVNBXDOJSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-7-11(14)13-10-12(2)8-5-4-6-9-12/h3,7H,4-6,8-10H2,1-2H3,(H,13,14)/b7-3+.
What are the key properties of (E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide?
(E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide is sourced from PubChem (CID 103753261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).