1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide

C9H16N2O2 — CID 65465567

IUPAC1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide
SMILESC=COCCCNC(=O)C1(N)CC1
InChIInChI=1S/C9H16N2O2/c1-2-13-7-3-6-11-8(12)9(10)4-5-9/h2H,1,3-7,10H2,(H,11,12)
InChIKeyBNESRDKOHFGTSM-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.14
Rot. Bonds6

About 1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide

1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide (PubChem CID 65465567) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide
PubChem CID65465567
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide
SMILESC=COCCCNC(=O)C1(N)CC1
InChIInChI=1S/C9H16N2O2/c1-2-13-7-3-6-11-8(12)9(10)4-5-9/h2H,1,3-7,10H2,(H,11,12)
InChIKeyBNESRDKOHFGTSM-UHFFFAOYSA-N
XLogP0.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-amino-N-(3-ethenoxypropyl)cyclopropane-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-(3-ethenoxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide (CID 65465567) is 1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide is C=COCCCNC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide?
The InChIKey is BNESRDKOHFGTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-13-7-3-6-11-8(12)9(10)4-5-9/h2H,1,3-7,10H2,(H,11,12).
What are the key properties of 1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide?
1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65465567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).