N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide

C16H28N2O — CID 106980144

IUPACN-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN(C(=O)C1(C(C)C)CCNC1)C1CCCC1
InChIInChI=1S/C16H28N2O/c1-4-11-18(14-7-5-6-8-14)15(19)16(13(2)3)9-10-17-12-16/h4,13-14,17H,1,5-12H2,2-3H3
InChIKeyHLTSIRMKNUMGIQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.58
Rot. Bonds5

About N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide

N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 106980144) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID106980144
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN(C(=O)C1(C(C)C)CCNC1)C1CCCC1
InChIInChI=1S/C16H28N2O/c1-4-11-18(14-7-5-6-8-14)15(19)16(13(2)3)9-10-17-12-16/h4,13-14,17H,1,5-12H2,2-3H3
InChIKeyHLTSIRMKNUMGIQ-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
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-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide (CID 106980144) is N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCN(C(=O)C1(C(C)C)CCNC1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is HLTSIRMKNUMGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-11-18(14-7-5-6-8-14)15(19)16(13(2)3)9-10-17-12-16/h4,13-14,17H,1,5-12H2,2-3H3.
What are the key properties of N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide?
N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 264.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).