N-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide

C17H27NO — CID 76600104

IUPACN-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide
SMILESCCCCN(CC=CC1CC=CCC1)C(=O)C1CC1
InChIInChI=1S/C17H27NO/c1-2-3-13-18(17(19)16-11-12-16)14-7-10-15-8-5-4-6-9-15/h4-5,7,10,15-16H,2-3,6,8-9,11-14H2,1H3
InChIKeyUOJDZWLYGJQMTI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds7

About N-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide

N-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide (PubChem CID 76600104) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide
PubChem CID76600104
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide
SMILESCCCCN(CC=CC1CC=CCC1)C(=O)C1CC1
InChIInChI=1S/C17H27NO/c1-2-3-13-18(17(19)16-11-12-16)14-7-10-15-8-5-4-6-9-15/h4-5,7,10,15-16H,2-3,6,8-9,11-14H2,1H3
InChIKeyUOJDZWLYGJQMTI-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide?
The IUPAC name of N-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide (CID 76600104) is N-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide.
What is the SMILES notation for N-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide?
The canonical SMILES for N-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide is CCCCN(CC=CC1CC=CCC1)C(=O)C1CC1.
What is the InChIKey of N-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide?
The InChIKey is UOJDZWLYGJQMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-13-18(17(19)16-11-12-16)14-7-10-15-8-5-4-6-9-15/h4-5,7,10,15-16H,2-3,6,8-9,11-14H2,1H3.
What are the key properties of N-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide?
N-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide has a molecular weight of 261.41 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)cyclopropanecarboxamide is sourced from PubChem (CID 76600104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).