1-prop-2-enylaziridine-2-carbohydrazide

C6H11N3O — CID 12503641

IUPAC1-prop-2-enylaziridine-2-carbohydrazide
SMILESC=CCN1CC1C(=O)NN
InChIInChI=1S/C6H11N3O/c1-2-3-9-4-5(9)6(10)8-7/h2,5H,1,3-4,7H2,(H,8,10)
InChIKeySINIICDCFYHVCU-UHFFFAOYSA-N
MW141.17 g/mol
LogP-1.15
Rot. Bonds3

About 1-prop-2-enylaziridine-2-carbohydrazide

1-prop-2-enylaziridine-2-carbohydrazide (PubChem CID 12503641) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-prop-2-enylaziridine-2-carbohydrazide.

Molecular Properties

Compound Name1-prop-2-enylaziridine-2-carbohydrazide
PubChem CID12503641
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-prop-2-enylaziridine-2-carbohydrazide
SMILESC=CCN1CC1C(=O)NN
InChIInChI=1S/C6H11N3O/c1-2-3-9-4-5(9)6(10)8-7/h2,5H,1,3-4,7H2,(H,8,10)
InChIKeySINIICDCFYHVCU-UHFFFAOYSA-N
XLogP-1.15
TPSA58.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylaziridine-2-carbohydrazide?
The IUPAC name of 1-prop-2-enylaziridine-2-carbohydrazide (CID 12503641) is 1-prop-2-enylaziridine-2-carbohydrazide.
What is the SMILES notation for 1-prop-2-enylaziridine-2-carbohydrazide?
The canonical SMILES for 1-prop-2-enylaziridine-2-carbohydrazide is C=CCN1CC1C(=O)NN.
What is the InChIKey of 1-prop-2-enylaziridine-2-carbohydrazide?
The InChIKey is SINIICDCFYHVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-3-9-4-5(9)6(10)8-7/h2,5H,1,3-4,7H2,(H,8,10).
What are the key properties of 1-prop-2-enylaziridine-2-carbohydrazide?
1-prop-2-enylaziridine-2-carbohydrazide has a molecular weight of 141.17 g/mol, XLogP of -1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylaziridine-2-carbohydrazide is sourced from PubChem (CID 12503641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).