N-butan-2-ylcyclohex-3-ene-1-carboxamide

C11H19NO — CID 42930407

IUPACN-butan-2-ylcyclohex-3-ene-1-carboxamide
SMILESCCC(C)NC(=O)C1CC=CCC1
InChIInChI=1S/C11H19NO/c1-3-9(2)12-11(13)10-7-5-4-6-8-10/h4-5,9-10H,3,6-8H2,1-2H3,(H,12,13)
InChIKeyOWSASHNLPPVCHT-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds3

About N-butan-2-ylcyclohex-3-ene-1-carboxamide

N-butan-2-ylcyclohex-3-ene-1-carboxamide (PubChem CID 42930407) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-butan-2-ylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-ylcyclohex-3-ene-1-carboxamide
PubChem CID42930407
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-butan-2-ylcyclohex-3-ene-1-carboxamide
SMILESCCC(C)NC(=O)C1CC=CCC1
InChIInChI=1S/C11H19NO/c1-3-9(2)12-11(13)10-7-5-4-6-8-10/h4-5,9-10H,3,6-8H2,1-2H3,(H,12,13)
InChIKeyOWSASHNLPPVCHT-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
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-butan-2-ylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-butan-2-ylcyclohex-3-ene-1-carboxamide (CID 42930407) is N-butan-2-ylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-butan-2-ylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-butan-2-ylcyclohex-3-ene-1-carboxamide is CCC(C)NC(=O)C1CC=CCC1.
What is the InChIKey of N-butan-2-ylcyclohex-3-ene-1-carboxamide?
The InChIKey is OWSASHNLPPVCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-9(2)12-11(13)10-7-5-4-6-8-10/h4-5,9-10H,3,6-8H2,1-2H3,(H,12,13).
What are the key properties of N-butan-2-ylcyclohex-3-ene-1-carboxamide?
N-butan-2-ylcyclohex-3-ene-1-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42930407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).