N-(5-hydrazinylpentyl)-2-methylprop-2-enamide

C9H19N3O — CID 87377553

IUPACN-(5-hydrazinylpentyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCNN
InChIInChI=1S/C9H19N3O/c1-8(2)9(13)11-6-4-3-5-7-12-10/h12H,1,3-7,10H2,2H3,(H,11,13)
InChIKeyITOPYYLRBVUURH-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.31
Rot. Bonds7

About N-(5-hydrazinylpentyl)-2-methylprop-2-enamide

N-(5-hydrazinylpentyl)-2-methylprop-2-enamide (PubChem CID 87377553) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(5-hydrazinylpentyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(5-hydrazinylpentyl)-2-methylprop-2-enamide
PubChem CID87377553
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-(5-hydrazinylpentyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCNN
InChIInChI=1S/C9H19N3O/c1-8(2)9(13)11-6-4-3-5-7-12-10/h12H,1,3-7,10H2,2H3,(H,11,13)
InChIKeyITOPYYLRBVUURH-UHFFFAOYSA-N
XLogP0.31
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 N-(5-hydrazinylpentyl)-2-methylprop-2-enamide?
The IUPAC name of N-(5-hydrazinylpentyl)-2-methylprop-2-enamide (CID 87377553) is N-(5-hydrazinylpentyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(5-hydrazinylpentyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(5-hydrazinylpentyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCNN.
What is the InChIKey of N-(5-hydrazinylpentyl)-2-methylprop-2-enamide?
The InChIKey is ITOPYYLRBVUURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8(2)9(13)11-6-4-3-5-7-12-10/h12H,1,3-7,10H2,2H3,(H,11,13).
What are the key properties of N-(5-hydrazinylpentyl)-2-methylprop-2-enamide?
N-(5-hydrazinylpentyl)-2-methylprop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydrazinylpentyl)-2-methylprop-2-enamide is sourced from PubChem (CID 87377553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).