N-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide

C9H15NO2 — CID 44606486

IUPACN-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide
SMILES[2H]C1(CCC)OC1C(=O)NC1CC1
InChIInChI=1S/C9H15NO2/c1-2-3-7-8(12-7)9(11)10-6-4-5-6/h6-8H,2-5H2,1H3,(H,10,11)/i7D
InChIKeyARDZPNHBMYHPHZ-WHRKIXHSSA-N
MW170.23 g/mol
LogP0.83
Rot. Bonds4

About N-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide

N-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide (PubChem CID 44606486) has the molecular formula C9H15NO2 and a molecular weight of 170.23 g/mol. Its IUPAC name is N-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide
PubChem CID44606486
Molecular FormulaC9H15NO2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC NameN-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide
SMILES[2H]C1(CCC)OC1C(=O)NC1CC1
InChIInChI=1S/C9H15NO2/c1-2-3-7-8(12-7)9(11)10-6-4-5-6/h6-8H,2-5H2,1H3,(H,10,11)/i7D
InChIKeyARDZPNHBMYHPHZ-WHRKIXHSSA-N
XLogP0.83
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 50.83
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-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide?
The IUPAC name of N-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide (CID 44606486) is N-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide?
The canonical SMILES for N-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide is [2H]C1(CCC)OC1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide?
The InChIKey is ARDZPNHBMYHPHZ-WHRKIXHSSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-7-8(12-7)9(11)10-6-4-5-6/h6-8H,2-5H2,1H3,(H,10,11)/i7D.
What are the key properties of N-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide?
N-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide has a molecular weight of 170.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-deuterio-3-propyloxirane-2-carboxamide is sourced from PubChem (CID 44606486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).