3-methylazetidine-3-carboxamide

C5H10N2O — CID 118967797

IUPAC3-methylazetidine-3-carboxamide
SMILESCC1(C(N)=O)CNC1
InChIInChI=1S/C5H10N2O/c1-5(4(6)8)2-7-3-5/h7H,2-3H2,1H3,(H2,6,8)
InChIKeyQHPGPVUYRVXSSO-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.92
Rot. Bonds1

About 3-methylazetidine-3-carboxamide

3-methylazetidine-3-carboxamide (PubChem CID 118967797) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name3-methylazetidine-3-carboxamide
PubChem CID118967797
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3-methylazetidine-3-carboxamide
SMILESCC1(C(N)=O)CNC1
InChIInChI=1S/C5H10N2O/c1-5(4(6)8)2-7-3-5/h7H,2-3H2,1H3,(H2,6,8)
InChIKeyQHPGPVUYRVXSSO-UHFFFAOYSA-N
XLogP-0.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylazetidine-3-carboxamide?
The IUPAC name of 3-methylazetidine-3-carboxamide (CID 118967797) is 3-methylazetidine-3-carboxamide.
What is the SMILES notation for 3-methylazetidine-3-carboxamide?
The canonical SMILES for 3-methylazetidine-3-carboxamide is CC1(C(N)=O)CNC1.
What is the InChIKey of 3-methylazetidine-3-carboxamide?
The InChIKey is QHPGPVUYRVXSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-5(4(6)8)2-7-3-5/h7H,2-3H2,1H3,(H2,6,8).
What are the key properties of 3-methylazetidine-3-carboxamide?
3-methylazetidine-3-carboxamide has a molecular weight of 114.15 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylazetidine-3-carboxamide is sourced from PubChem (CID 118967797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).