N-butyl-N-cyclopropylbut-2-enamide

C11H19NO — CID 112726716

IUPACN-butyl-N-cyclopropylbut-2-enamide
SMILESCC=CC(=O)N(CCCC)C1CC1
InChIInChI=1S/C11H19NO/c1-3-5-9-12(10-7-8-10)11(13)6-4-2/h4,6,10H,3,5,7-9H2,1-2H3
InChIKeyKDWVCIOWGNGLPU-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.35
Rot. Bonds5

About N-butyl-N-cyclopropylbut-2-enamide

N-butyl-N-cyclopropylbut-2-enamide (PubChem CID 112726716) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-butyl-N-cyclopropylbut-2-enamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropylbut-2-enamide
PubChem CID112726716
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-butyl-N-cyclopropylbut-2-enamide
SMILESCC=CC(=O)N(CCCC)C1CC1
InChIInChI=1S/C11H19NO/c1-3-5-9-12(10-7-8-10)11(13)6-4-2/h4,6,10H,3,5,7-9H2,1-2H3
InChIKeyKDWVCIOWGNGLPU-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide
CID 54526430
1-butyl-1,3-dicyclopropylurea
CID 115579407
(2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide
CID 54923443
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
3-amino-N-butyl-N-cyclopropylpropanamide
CID 60944847
(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide
CID 63299656
N-methyl-N-(4-methylcyclohexyl)but-2-enamide
CID 112725199
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
N-cyclopentyl-N-(2-methylpropyl)but-2-enamide
CID 112725797
N-butyl-2-cyano-N-cyclopropylacetamide
CID 61443044
(E)-N,N-dipropylbut-2-enamide
CID 21329403
2-amino-N-butyl-N-cyclopropyl-3-methylbutanamide
CID 60944592

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropylbut-2-enamide?
The IUPAC name of N-butyl-N-cyclopropylbut-2-enamide (CID 112726716) is N-butyl-N-cyclopropylbut-2-enamide.
What is the SMILES notation for N-butyl-N-cyclopropylbut-2-enamide?
The canonical SMILES for N-butyl-N-cyclopropylbut-2-enamide is CC=CC(=O)N(CCCC)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropylbut-2-enamide?
The InChIKey is KDWVCIOWGNGLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-9-12(10-7-8-10)11(13)6-4-2/h4,6,10H,3,5,7-9H2,1-2H3.
What are the key properties of N-butyl-N-cyclopropylbut-2-enamide?
N-butyl-N-cyclopropylbut-2-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropylbut-2-enamide is sourced from PubChem (CID 112726716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).