N-(1-phenylhex-5-ynylidene)hydroxylamine

C12H13NO — CID 131845523

IUPACN-(1-phenylhex-5-ynylidene)hydroxylamine
SMILESC#CCCCC(=NO)c1ccccc1
InChIInChI=1S/C12H13NO/c1-2-3-5-10-12(13-14)11-8-6-4-7-9-11/h1,4,6-9,14H,3,5,10H2
InChIKeyYAUIPBMIEOPZKK-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.67
Rot. Bonds4

About N-(1-phenylhex-5-ynylidene)hydroxylamine

N-(1-phenylhex-5-ynylidene)hydroxylamine (PubChem CID 131845523) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(1-phenylhex-5-ynylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-phenylhex-5-ynylidene)hydroxylamine
PubChem CID131845523
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC NameN-(1-phenylhex-5-ynylidene)hydroxylamine
SMILESC#CCCCC(=NO)c1ccccc1
InChIInChI=1S/C12H13NO/c1-2-3-5-10-12(13-14)11-8-6-4-7-9-11/h1,4,6-9,14H,3,5,10H2
InChIKeyYAUIPBMIEOPZKK-UHFFFAOYSA-N
XLogP2.67
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-phenylhex-5-ynylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylhex-5-ynylidene)hydroxylamine?
The IUPAC name of N-(1-phenylhex-5-ynylidene)hydroxylamine (CID 131845523) is N-(1-phenylhex-5-ynylidene)hydroxylamine.
What is the SMILES notation for N-(1-phenylhex-5-ynylidene)hydroxylamine?
The canonical SMILES for N-(1-phenylhex-5-ynylidene)hydroxylamine is C#CCCCC(=NO)c1ccccc1.
What is the InChIKey of N-(1-phenylhex-5-ynylidene)hydroxylamine?
The InChIKey is YAUIPBMIEOPZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-3-5-10-12(13-14)11-8-6-4-7-9-11/h1,4,6-9,14H,3,5,10H2.
What are the key properties of N-(1-phenylhex-5-ynylidene)hydroxylamine?
N-(1-phenylhex-5-ynylidene)hydroxylamine has a molecular weight of 187.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylhex-5-ynylidene)hydroxylamine is sourced from PubChem (CID 131845523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).