N-(3-phenylpent-3-en-2-ylidene)hydroxylamine

C11H13NO — CID 575570

IUPACN-(3-phenylpent-3-en-2-ylidene)hydroxylamine
SMILESCC=C(C(C)=NO)c1ccccc1
InChIInChI=1S/C11H13NO/c1-3-11(9(2)12-13)10-7-5-4-6-8-10/h3-8,13H,1-2H3
InChIKeyKHJVFWLAELGGJA-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.94
Rot. Bonds2

About N-(3-phenylpent-3-en-2-ylidene)hydroxylamine

N-(3-phenylpent-3-en-2-ylidene)hydroxylamine (PubChem CID 575570) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(3-phenylpent-3-en-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-phenylpent-3-en-2-ylidene)hydroxylamine
PubChem CID575570
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-(3-phenylpent-3-en-2-ylidene)hydroxylamine
SMILESCC=C(C(C)=NO)c1ccccc1
InChIInChI=1S/C11H13NO/c1-3-11(9(2)12-13)10-7-5-4-6-8-10/h3-8,13H,1-2H3
InChIKeyKHJVFWLAELGGJA-UHFFFAOYSA-N
XLogP2.94
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-phenylpent-3-en-2-ylidene)hydroxylamine?
The IUPAC name of N-(3-phenylpent-3-en-2-ylidene)hydroxylamine (CID 575570) is N-(3-phenylpent-3-en-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-phenylpent-3-en-2-ylidene)hydroxylamine?
The canonical SMILES for N-(3-phenylpent-3-en-2-ylidene)hydroxylamine is CC=C(C(C)=NO)c1ccccc1.
What is the InChIKey of N-(3-phenylpent-3-en-2-ylidene)hydroxylamine?
The InChIKey is KHJVFWLAELGGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-11(9(2)12-13)10-7-5-4-6-8-10/h3-8,13H,1-2H3.
What are the key properties of N-(3-phenylpent-3-en-2-ylidene)hydroxylamine?
N-(3-phenylpent-3-en-2-ylidene)hydroxylamine has a molecular weight of 175.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpent-3-en-2-ylidene)hydroxylamine is sourced from PubChem (CID 575570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).