3-propylazetidine-1-carboxamide

C7H14N2O — CID 45084183

IUPAC3-propylazetidine-1-carboxamide
SMILESCCCC1CN(C(N)=O)C1
InChIInChI=1S/C7H14N2O/c1-2-3-6-4-9(5-6)7(8)10/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyASFUJRYWRTWGEU-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.80
Rot. Bonds2

About 3-propylazetidine-1-carboxamide

3-propylazetidine-1-carboxamide (PubChem CID 45084183) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-propylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-propylazetidine-1-carboxamide
PubChem CID45084183
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-propylazetidine-1-carboxamide
SMILESCCCC1CN(C(N)=O)C1
InChIInChI=1S/C7H14N2O/c1-2-3-6-4-9(5-6)7(8)10/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyASFUJRYWRTWGEU-UHFFFAOYSA-N
XLogP0.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propylazetidine-1-carboxamide?
The IUPAC name of 3-propylazetidine-1-carboxamide (CID 45084183) is 3-propylazetidine-1-carboxamide.
What is the SMILES notation for 3-propylazetidine-1-carboxamide?
The canonical SMILES for 3-propylazetidine-1-carboxamide is CCCC1CN(C(N)=O)C1.
What is the InChIKey of 3-propylazetidine-1-carboxamide?
The InChIKey is ASFUJRYWRTWGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-3-6-4-9(5-6)7(8)10/h6H,2-5H2,1H3,(H2,8,10).
What are the key properties of 3-propylazetidine-1-carboxamide?
3-propylazetidine-1-carboxamide has a molecular weight of 142.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylazetidine-1-carboxamide is sourced from PubChem (CID 45084183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).