N-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide

C13H20N2O2 — CID 84597492

IUPACN-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide
SMILESCN(C(=O)C1CC=CC1)C1(C(N)=O)CCCC1
InChIInChI=1S/C13H20N2O2/c1-15(11(16)10-6-2-3-7-10)13(12(14)17)8-4-5-9-13/h2-3,10H,4-9H2,1H3,(H2,14,17)
InChIKeyPOSXILQZHZRQQJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.21
Rot. Bonds3

About N-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide

N-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide (PubChem CID 84597492) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide
PubChem CID84597492
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide
SMILESCN(C(=O)C1CC=CC1)C1(C(N)=O)CCCC1
InChIInChI=1S/C13H20N2O2/c1-15(11(16)10-6-2-3-7-10)13(12(14)17)8-4-5-9-13/h2-3,10H,4-9H2,1H3,(H2,14,17)
InChIKeyPOSXILQZHZRQQJ-UHFFFAOYSA-N
XLogP1.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.21
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-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide (CID 84597492) is N-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide is CN(C(=O)C1CC=CC1)C1(C(N)=O)CCCC1.
What is the InChIKey of N-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide?
The InChIKey is POSXILQZHZRQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(11(16)10-6-2-3-7-10)13(12(14)17)8-4-5-9-13/h2-3,10H,4-9H2,1H3,(H2,14,17).
What are the key properties of N-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide?
N-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 84597492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).