N-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide

C14H24N2O — CID 13146385

IUPACN-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide
SMILESC=CCN(C(=O)N1CCCC1)C1CCCCC1
InChIInChI=1S/C14H24N2O/c1-2-10-16(13-8-4-3-5-9-13)14(17)15-11-6-7-12-15/h2,13H,1,3-12H2
InChIKeySBMKFRSVWMFHLV-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.02
Rot. Bonds3

About N-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide

N-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide (PubChem CID 13146385) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide
PubChem CID13146385
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide
SMILESC=CCN(C(=O)N1CCCC1)C1CCCCC1
InChIInChI=1S/C14H24N2O/c1-2-10-16(13-8-4-3-5-9-13)14(17)15-11-6-7-12-15/h2,13H,1,3-12H2
InChIKeySBMKFRSVWMFHLV-UHFFFAOYSA-N
XLogP3.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.02
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-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide (CID 13146385) is N-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide is C=CCN(C(=O)N1CCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide?
The InChIKey is SBMKFRSVWMFHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-10-16(13-8-4-3-5-9-13)14(17)15-11-6-7-12-15/h2,13H,1,3-12H2.
What are the key properties of N-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide?
N-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide is sourced from PubChem (CID 13146385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).