N-prop-2-ynylcyclohexene-1-carboxamide

C10H13NO — CID 130005413

IUPACN-prop-2-ynylcyclohexene-1-carboxamide
SMILESC#CCNC(=O)C1=CCCCC1
InChIInChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h1,6H,3-5,7-8H2,(H,11,12)
InChIKeyQZFFLIRLRMFQNU-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.24
Rot. Bonds2

About N-prop-2-ynylcyclohexene-1-carboxamide

N-prop-2-ynylcyclohexene-1-carboxamide (PubChem CID 130005413) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-prop-2-ynylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynylcyclohexene-1-carboxamide
PubChem CID130005413
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-prop-2-ynylcyclohexene-1-carboxamide
SMILESC#CCNC(=O)C1=CCCCC1
InChIInChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h1,6H,3-5,7-8H2,(H,11,12)
InChIKeyQZFFLIRLRMFQNU-UHFFFAOYSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylcyclohexene-1-carboxamide?
The IUPAC name of N-prop-2-ynylcyclohexene-1-carboxamide (CID 130005413) is N-prop-2-ynylcyclohexene-1-carboxamide.
What is the SMILES notation for N-prop-2-ynylcyclohexene-1-carboxamide?
The canonical SMILES for N-prop-2-ynylcyclohexene-1-carboxamide is C#CCNC(=O)C1=CCCCC1.
What is the InChIKey of N-prop-2-ynylcyclohexene-1-carboxamide?
The InChIKey is QZFFLIRLRMFQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h1,6H,3-5,7-8H2,(H,11,12).
What are the key properties of N-prop-2-ynylcyclohexene-1-carboxamide?
N-prop-2-ynylcyclohexene-1-carboxamide has a molecular weight of 163.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylcyclohexene-1-carboxamide is sourced from PubChem (CID 130005413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).