1-formyl-N-propylazetidine-2-carboxamide

C8H14N2O2 — CID 87282789

IUPAC1-formyl-N-propylazetidine-2-carboxamide
SMILESCCCNC(=O)C1CCN1C=O
InChIInChI=1S/C8H14N2O2/c1-2-4-9-8(12)7-3-5-10(7)6-11/h6-7H,2-5H2,1H3,(H,9,12)
InChIKeyCTAPEWQAKYNMLK-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.26
Rot. Bonds4

About 1-formyl-N-propylazetidine-2-carboxamide

1-formyl-N-propylazetidine-2-carboxamide (PubChem CID 87282789) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-formyl-N-propylazetidine-2-carboxamide.

Molecular Properties

Compound Name1-formyl-N-propylazetidine-2-carboxamide
PubChem CID87282789
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-formyl-N-propylazetidine-2-carboxamide
SMILESCCCNC(=O)C1CCN1C=O
InChIInChI=1S/C8H14N2O2/c1-2-4-9-8(12)7-3-5-10(7)6-11/h6-7H,2-5H2,1H3,(H,9,12)
InChIKeyCTAPEWQAKYNMLK-UHFFFAOYSA-N
XLogP-0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-formyl-N-propylazetidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 59765360
CID 59765360
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
N-butyl-1-formylpiperidine-4-carboxamide
CID 64992513
1-(cyanomethyl)-N-propylpiperidine-2-carboxamide
CID 10998275
N-propylcyclooctanecarboxamide
CID 65022755
methyl (E)-3-[3-(propylcarbamoyl)morpholin-4-yl]prop-2-enoate
CID 83102868
1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide
CID 110387753
N-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide
CID 154672230

Frequently Asked Questions

What is the IUPAC name of 1-formyl-N-propylazetidine-2-carboxamide?
The IUPAC name of 1-formyl-N-propylazetidine-2-carboxamide (CID 87282789) is 1-formyl-N-propylazetidine-2-carboxamide.
What is the SMILES notation for 1-formyl-N-propylazetidine-2-carboxamide?
The canonical SMILES for 1-formyl-N-propylazetidine-2-carboxamide is CCCNC(=O)C1CCN1C=O.
What is the InChIKey of 1-formyl-N-propylazetidine-2-carboxamide?
The InChIKey is CTAPEWQAKYNMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-4-9-8(12)7-3-5-10(7)6-11/h6-7H,2-5H2,1H3,(H,9,12).
What are the key properties of 1-formyl-N-propylazetidine-2-carboxamide?
1-formyl-N-propylazetidine-2-carboxamide has a molecular weight of 170.21 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-N-propylazetidine-2-carboxamide is sourced from PubChem (CID 87282789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).