N-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide

C11H19NO — CID 177136120

IUPACN-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide
SMILESCC(=O)N(/C=C(\C)C(C)C)C1CC1
InChIInChI=1S/C11H19NO/c1-8(2)9(3)7-12(10(4)13)11-5-6-11/h7-8,11H,5-6H2,1-4H3/b9-7+
InChIKeyBXXJUFUWBJXLGH-VQHVLOKHSA-N
MW181.28 g/mol
LogP2.56
Rot. Bonds3

About N-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide

N-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide (PubChem CID 177136120) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide
PubChem CID177136120
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide
SMILESCC(=O)N(/C=C(\C)C(C)C)C1CC1
InChIInChI=1S/C11H19NO/c1-8(2)9(3)7-12(10(4)13)11-5-6-11/h7-8,11H,5-6H2,1-4H3/b9-7+
InChIKeyBXXJUFUWBJXLGH-VQHVLOKHSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide
CID 177234095
N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide
CID 58916625
N-cyclopropyl-2-methyl-N-propan-2-ylpropanamide
CID 110872845
2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid
CID 63703998
N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide
CID 13496257
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
N-cyclobutyl-N-(2-methylpropyl)acetamide
CID 143031247
2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 78947635
N-tert-butyl-N-cyclopropyl-2-methylpropanamide
CID 153456658
N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide
CID 129290550
3-[(E)-2,3-dimethylbut-1-enyl]-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 108914751
N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane)
CID 159886924

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide (CID 177136120) is N-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide is CC(=O)N(/C=C(\C)C(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide?
The InChIKey is BXXJUFUWBJXLGH-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)9(3)7-12(10(4)13)11-5-6-11/h7-8,11H,5-6H2,1-4H3/b9-7+.
What are the key properties of N-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide?
N-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide has a molecular weight of 181.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(E)-2,3-dimethylbut-1-enyl]acetamide is sourced from PubChem (CID 177136120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).