N-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide

C15H24N2O — CID 10538545

IUPACN-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide
SMILESC=CCN(C)C(=O)C1=C(N2CCCC2)CCCC1
InChIInChI=1S/C15H24N2O/c1-3-10-16(2)15(18)13-8-4-5-9-14(13)17-11-6-7-12-17/h3H,1,4-12H2,2H3
InChIKeyXXIMRULLWHKXKS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.55
Rot. Bonds4

About N-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide

N-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide (PubChem CID 10538545) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide
PubChem CID10538545
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide
SMILESC=CCN(C)C(=O)C1=C(N2CCCC2)CCCC1
InChIInChI=1S/C15H24N2O/c1-3-10-16(2)15(18)13-8-4-5-9-14(13)17-11-6-7-12-17/h3H,1,4-12H2,2H3
InChIKeyXXIMRULLWHKXKS-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide?
The IUPAC name of N-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide (CID 10538545) is N-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide.
What is the SMILES notation for N-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide?
The canonical SMILES for N-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide is C=CCN(C)C(=O)C1=C(N2CCCC2)CCCC1.
What is the InChIKey of N-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide?
The InChIKey is XXIMRULLWHKXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-10-16(2)15(18)13-8-4-5-9-14(13)17-11-6-7-12-17/h3H,1,4-12H2,2H3.
What are the key properties of N-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide?
N-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enyl-2-pyrrolidin-1-ylcyclohexene-1-carboxamide is sourced from PubChem (CID 10538545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).