N-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide

C10H17NO2 — CID 134349242

IUPACN-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide
SMILESCC1OC1C(=O)NCC1CCCC1
InChIInChI=1S/C10H17NO2/c1-7-9(13-7)10(12)11-6-8-4-2-3-5-8/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyNSJJQVLSEICFGP-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.08
Rot. Bonds3

About N-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide

N-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide (PubChem CID 134349242) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide
PubChem CID134349242
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide
SMILESCC1OC1C(=O)NCC1CCCC1
InChIInChI=1S/C10H17NO2/c1-7-9(13-7)10(12)11-6-8-4-2-3-5-8/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyNSJJQVLSEICFGP-UHFFFAOYSA-N
XLogP1.08
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide (CID 134349242) is N-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide is CC1OC1C(=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide?
The InChIKey is NSJJQVLSEICFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-9(13-7)10(12)11-6-8-4-2-3-5-8/h7-9H,2-6H2,1H3,(H,11,12).
What are the key properties of N-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide?
N-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide is sourced from PubChem (CID 134349242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).