2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide

C6H14N4O — CID 88559435

IUPAC2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide
SMILESC=C(CN)NCC(=O)N(C)N
InChIInChI=1S/C6H14N4O/c1-5(3-7)9-4-6(11)10(2)8/h9H,1,3-4,7-8H2,2H3
InChIKeyWIDFYIQFKDSZSE-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.62
Rot. Bonds4

About 2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide

2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide (PubChem CID 88559435) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide.

Molecular Properties

Compound Name2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide
PubChem CID88559435
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide
SMILESC=C(CN)NCC(=O)N(C)N
InChIInChI=1S/C6H14N4O/c1-5(3-7)9-4-6(11)10(2)8/h9H,1,3-4,7-8H2,2H3
InChIKeyWIDFYIQFKDSZSE-UHFFFAOYSA-N
XLogP-1.62
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide?
The IUPAC name of 2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide (CID 88559435) is 2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide.
What is the SMILES notation for 2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide?
The canonical SMILES for 2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide is C=C(CN)NCC(=O)N(C)N.
What is the InChIKey of 2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide?
The InChIKey is WIDFYIQFKDSZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-5(3-7)9-4-6(11)10(2)8/h9H,1,3-4,7-8H2,2H3.
What are the key properties of 2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide?
2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide has a molecular weight of 158.20 g/mol, XLogP of -1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-en-2-ylamino)-N-methylacetohydrazide is sourced from PubChem (CID 88559435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).