1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide

C8H11N3O — CID 19973179

IUPAC1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide
SMILESNC1(C(=O)Nn2cccc2)CC1
InChIInChI=1S/C8H11N3O/c9-8(3-4-8)7(12)10-11-5-1-2-6-11/h1-2,5-6H,3-4,9H2,(H,10,12)
InChIKeyYCKWZESZZBGILF-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.05
Rot. Bonds2

About 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide

1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide (PubChem CID 19973179) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide
PubChem CID19973179
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide
SMILESNC1(C(=O)Nn2cccc2)CC1
InChIInChI=1S/C8H11N3O/c9-8(3-4-8)7(12)10-11-5-1-2-6-11/h1-2,5-6H,3-4,9H2,(H,10,12)
InChIKeyYCKWZESZZBGILF-UHFFFAOYSA-N
XLogP0.05
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide (CID 19973179) is 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide is NC1(C(=O)Nn2cccc2)CC1.
What is the InChIKey of 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide?
The InChIKey is YCKWZESZZBGILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-8(3-4-8)7(12)10-11-5-1-2-6-11/h1-2,5-6H,3-4,9H2,(H,10,12).
What are the key properties of 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide?
1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide has a molecular weight of 165.20 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-pyrrol-1-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 19973179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).