N-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine

C10H13N3O — CID 135524984

IUPACN-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine
SMILESCC(=NO)C(C)=NNc1ccccc1
InChIInChI=1S/C10H13N3O/c1-8(9(2)13-14)11-12-10-6-4-3-5-7-10/h3-7,12,14H,1-2H3
InChIKeyHBVJDQXHKIWESL-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.32
Rot. Bonds3

About N-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine

N-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine (PubChem CID 135524984) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine
PubChem CID135524984
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine
SMILESCC(=NO)C(C)=NNc1ccccc1
InChIInChI=1S/C10H13N3O/c1-8(9(2)13-14)11-12-10-6-4-3-5-7-10/h3-7,12,14H,1-2H3
InChIKeyHBVJDQXHKIWESL-UHFFFAOYSA-N
XLogP2.32
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine?
The IUPAC name of N-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine (CID 135524984) is N-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine is CC(=NO)C(C)=NNc1ccccc1.
What is the InChIKey of N-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine?
The InChIKey is HBVJDQXHKIWESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8(9(2)13-14)11-12-10-6-4-3-5-7-10/h3-7,12,14H,1-2H3.
What are the key properties of N-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine?
N-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine has a molecular weight of 191.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(phenylhydrazinylidene)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135524984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).