1-prop-2-enylcyclohexane-1-carboxamide

C10H17NO — CID 15707441

IUPAC1-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCC1(C(N)=O)CCCCC1
InChIInChI=1S/C10H17NO/c1-2-6-10(9(11)12)7-4-3-5-8-10/h2H,1,3-8H2,(H2,11,12)
InChIKeyRDDMUFZRGZLIQQ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.00
Rot. Bonds3

About 1-prop-2-enylcyclohexane-1-carboxamide

1-prop-2-enylcyclohexane-1-carboxamide (PubChem CID 15707441) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-prop-2-enylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-prop-2-enylcyclohexane-1-carboxamide
PubChem CID15707441
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCC1(C(N)=O)CCCCC1
InChIInChI=1S/C10H17NO/c1-2-6-10(9(11)12)7-4-3-5-8-10/h2H,1,3-8H2,(H2,11,12)
InChIKeyRDDMUFZRGZLIQQ-UHFFFAOYSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.00
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 1-prop-2-enylcyclohexane-1-carboxamide?
The IUPAC name of 1-prop-2-enylcyclohexane-1-carboxamide (CID 15707441) is 1-prop-2-enylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-prop-2-enylcyclohexane-1-carboxamide?
The canonical SMILES for 1-prop-2-enylcyclohexane-1-carboxamide is C=CCC1(C(N)=O)CCCCC1.
What is the InChIKey of 1-prop-2-enylcyclohexane-1-carboxamide?
The InChIKey is RDDMUFZRGZLIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-6-10(9(11)12)7-4-3-5-8-10/h2H,1,3-8H2,(H2,11,12).
What are the key properties of 1-prop-2-enylcyclohexane-1-carboxamide?
1-prop-2-enylcyclohexane-1-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylcyclohexane-1-carboxamide is sourced from PubChem (CID 15707441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).