N-(3-cyclopropylpropyl)oxirane-2-carboxamide

C9H15NO2 — CID 87490034

IUPACN-(3-cyclopropylpropyl)oxirane-2-carboxamide
SMILESO=C(NCCCC1CC1)C1CO1
InChIInChI=1S/C9H15NO2/c11-9(8-6-12-8)10-5-1-2-7-3-4-7/h7-8H,1-6H2,(H,10,11)
InChIKeySDAQWBPSOSLEBC-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.69
Rot. Bonds5

About N-(3-cyclopropylpropyl)oxirane-2-carboxamide

N-(3-cyclopropylpropyl)oxirane-2-carboxamide (PubChem CID 87490034) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)oxirane-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)oxirane-2-carboxamide
PubChem CID87490034
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(3-cyclopropylpropyl)oxirane-2-carboxamide
SMILESO=C(NCCCC1CC1)C1CO1
InChIInChI=1S/C9H15NO2/c11-9(8-6-12-8)10-5-1-2-7-3-4-7/h7-8H,1-6H2,(H,10,11)
InChIKeySDAQWBPSOSLEBC-UHFFFAOYSA-N
XLogP0.69
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(5-methylhexyl)oxirane-2-carboxamide
CID 21019009
N-(2-methylbutyl)oxirane-2-carboxamide
CID 21951163
N-(2-ethylhexyl)oxirane-2-carboxamide
CID 87397630
N-pentyloxirane-2-carboxamide
CID 88626716
N-(2,2-dimethylhexyl)oxirane-2-carboxamide
CID 129033402
N-(cyclopropylmethyl)-3-ethyloxirane-2-carboxamide
CID 134349185
N-(cyclopentylmethyl)-3-methyloxirane-2-carboxamide
CID 134349242
N-(cyclopropylmethyl)-3-(2-methylpropyl)oxirane-2-carboxamide
CID 134349264
N-(cyclopropylmethyl)-3-propyloxirane-2-carboxamide
CID 134349387
3-cyclopropyl-N-(cyclopropylmethyl)oxirane-2-carboxamide
CID 134349520
N-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide
CID 134349554
N-(cyclopropylmethyl)-3-propan-2-yloxirane-2-carboxamide
CID 134349709

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)oxirane-2-carboxamide?
The IUPAC name of N-(3-cyclopropylpropyl)oxirane-2-carboxamide (CID 87490034) is N-(3-cyclopropylpropyl)oxirane-2-carboxamide.
What is the SMILES notation for N-(3-cyclopropylpropyl)oxirane-2-carboxamide?
The canonical SMILES for N-(3-cyclopropylpropyl)oxirane-2-carboxamide is O=C(NCCCC1CC1)C1CO1.
What is the InChIKey of N-(3-cyclopropylpropyl)oxirane-2-carboxamide?
The InChIKey is SDAQWBPSOSLEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(8-6-12-8)10-5-1-2-7-3-4-7/h7-8H,1-6H2,(H,10,11).
What are the key properties of N-(3-cyclopropylpropyl)oxirane-2-carboxamide?
N-(3-cyclopropylpropyl)oxirane-2-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)oxirane-2-carboxamide is sourced from PubChem (CID 87490034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).