3-(1-aminocyclopropyl)prop-2-enamide

C6H10N2O — CID 156858821

IUPAC3-(1-aminocyclopropyl)prop-2-enamide
SMILESNC(=O)C=CC1(N)CC1
InChIInChI=1S/C6H10N2O/c7-5(9)1-2-6(8)3-4-6/h1-2H,3-4,8H2,(H2,7,9)
InChIKeyRPLYZJJEOQLMIJ-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.48
Rot. Bonds2

About 3-(1-aminocyclopropyl)prop-2-enamide

3-(1-aminocyclopropyl)prop-2-enamide (PubChem CID 156858821) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-(1-aminocyclopropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(1-aminocyclopropyl)prop-2-enamide
PubChem CID156858821
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-(1-aminocyclopropyl)prop-2-enamide
SMILESNC(=O)C=CC1(N)CC1
InChIInChI=1S/C6H10N2O/c7-5(9)1-2-6(8)3-4-6/h1-2H,3-4,8H2,(H2,7,9)
InChIKeyRPLYZJJEOQLMIJ-UHFFFAOYSA-N
XLogP-0.48
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopropyl)prop-2-enamide?
The IUPAC name of 3-(1-aminocyclopropyl)prop-2-enamide (CID 156858821) is 3-(1-aminocyclopropyl)prop-2-enamide.
What is the SMILES notation for 3-(1-aminocyclopropyl)prop-2-enamide?
The canonical SMILES for 3-(1-aminocyclopropyl)prop-2-enamide is NC(=O)C=CC1(N)CC1.
What is the InChIKey of 3-(1-aminocyclopropyl)prop-2-enamide?
The InChIKey is RPLYZJJEOQLMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-5(9)1-2-6(8)3-4-6/h1-2H,3-4,8H2,(H2,7,9).
What are the key properties of 3-(1-aminocyclopropyl)prop-2-enamide?
3-(1-aminocyclopropyl)prop-2-enamide has a molecular weight of 126.16 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopropyl)prop-2-enamide is sourced from PubChem (CID 156858821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).