2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide

C9H13N3O — CID 178181137

IUPAC2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide
SMILESN#CCC1CCN1C(=O)NC1CC1
InChIInChI=1S/C9H13N3O/c10-5-3-8-4-6-12(8)9(13)11-7-1-2-7/h7-8H,1-4,6H2,(H,11,13)
InChIKeyVOWBYWRDZRBJII-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.85
Rot. Bonds2

About 2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide

2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide (PubChem CID 178181137) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide.

Molecular Properties

Compound Name2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide
PubChem CID178181137
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide
SMILESN#CCC1CCN1C(=O)NC1CC1
InChIInChI=1S/C9H13N3O/c10-5-3-8-4-6-12(8)9(13)11-7-1-2-7/h7-8H,1-4,6H2,(H,11,13)
InChIKeyVOWBYWRDZRBJII-UHFFFAOYSA-N
XLogP0.85
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyanomethyl)-N-(2,2-difluorocyclopropyl)azetidine-1-carboxamide
CID 178181150
2-(cyanomethyl)-N-(1,1,1-trifluoropropan-2-yl)azetidine-1-carboxamide
CID 178181153
(2S)-2-cyano-N-methylazetidine-1-carboxamide
CID 122651314
1-[1-(2-Cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea
CID 163550005
CID 178959022
CID 178959022
CID 178959062
CID 178959062
1-(1-Cyanobutyl)-3-cyclopropylurea
CID 62698354
1-(3-Cyanopropyl)-3-cyclopropylurea
CID 62699303
1-(4-Cyanobutyl)-3-cyclopropylurea
CID 63296893
2-cyano-N-cyclopropylpiperidine-1-carboxamide
CID 64413278
2-cyano-N-cyclopropylpyrrolidine-1-carboxamide
CID 64414050
1-(2-Cyanoethyl)-3-cyclopentyl-1-cyclopropylurea
CID 78973040

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide?
The IUPAC name of 2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide (CID 178181137) is 2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide.
What is the SMILES notation for 2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide?
The canonical SMILES for 2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide is N#CCC1CCN1C(=O)NC1CC1.
What is the InChIKey of 2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide?
The InChIKey is VOWBYWRDZRBJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-5-3-8-4-6-12(8)9(13)11-7-1-2-7/h7-8H,1-4,6H2,(H,11,13).
What are the key properties of 2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide?
2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide is sourced from PubChem (CID 178181137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).