3-cyano-N-propan-2-ylazetidine-1-carboxamide

C8H13N3O — CID 130335584

IUPAC3-cyano-N-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(C#N)C1
InChIInChI=1S/C8H13N3O/c1-6(2)10-8(12)11-4-7(3-9)5-11/h6-7H,4-5H2,1-2H3,(H,10,12)
InChIKeyHQMQYKZKBVLRFX-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.56
Rot. Bonds1

About 3-cyano-N-propan-2-ylazetidine-1-carboxamide

3-cyano-N-propan-2-ylazetidine-1-carboxamide (PubChem CID 130335584) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-cyano-N-propan-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-cyano-N-propan-2-ylazetidine-1-carboxamide
PubChem CID130335584
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-cyano-N-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(C#N)C1
InChIInChI=1S/C8H13N3O/c1-6(2)10-8(12)11-4-7(3-9)5-11/h6-7H,4-5H2,1-2H3,(H,10,12)
InChIKeyHQMQYKZKBVLRFX-UHFFFAOYSA-N
XLogP0.56
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-propan-2-ylazetidine-1-carboxamide?
The IUPAC name of 3-cyano-N-propan-2-ylazetidine-1-carboxamide (CID 130335584) is 3-cyano-N-propan-2-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-cyano-N-propan-2-ylazetidine-1-carboxamide?
The canonical SMILES for 3-cyano-N-propan-2-ylazetidine-1-carboxamide is CC(C)NC(=O)N1CC(C#N)C1.
What is the InChIKey of 3-cyano-N-propan-2-ylazetidine-1-carboxamide?
The InChIKey is HQMQYKZKBVLRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)10-8(12)11-4-7(3-9)5-11/h6-7H,4-5H2,1-2H3,(H,10,12).
What are the key properties of 3-cyano-N-propan-2-ylazetidine-1-carboxamide?
3-cyano-N-propan-2-ylazetidine-1-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-propan-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 130335584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).