(NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine

C15H13ClN2O — CID 135696578

IUPAC(NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=C\c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O/c1-11(18-19)15(10-12-6-8-17-9-7-12)13-2-4-14(16)5-3-13/h2-10,19H,1H3/b15-10+,18-11+
InChIKeySMOWMZSQSJFNFK-MIKCAUBTSA-N
MW272.74 g/mol
LogP4.13
Rot. Bonds3

About (NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine

(NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine (PubChem CID 135696578) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is (NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine
PubChem CID135696578
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name(NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=C\c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O/c1-11(18-19)15(10-12-6-8-17-9-7-12)13-2-4-14(16)5-3-13/h2-10,19H,1H3/b15-10+,18-11+
InChIKeySMOWMZSQSJFNFK-MIKCAUBTSA-N
XLogP4.13
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

(NE)-N-[(Z)-3-(4-methylphenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine
CID 135582748
(NE)-N-[(E)-4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
CID 172987414
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (Z)-2-(4-chlorophenyl)-3-pyridin-4-ylprop-2-enoate
CID 20840882
(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid
CID 6276844
[(Z)-[(Z)-4-(4-chlorophenyl)-3-phenylbut-3-en-2-ylidene]amino]thiourea
CID 6253079
4-[(Z)-2-fluoroprop-1-enyl]pyridine
CID 170619141
(Z)-2-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-one
CID 58772861
1-(4-chlorophenyl)-3-(dimethylamino)-2-pyridin-4-ylprop-2-en-1-one
CID 54077613
(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529295
4-[(Z)-2-carboxy-2-(4-chlorophenyl)ethenyl]benzoic acid
CID 83955767
(NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
CID 135597868
N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine
CID 554614

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine (CID 135696578) is (NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine is CC(=N\O)/C(=C\c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of (NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine?
The InChIKey is SMOWMZSQSJFNFK-MIKCAUBTSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-11(18-19)15(10-12-6-8-17-9-7-12)13-2-4-14(16)5-3-13/h2-10,19H,1H3/b15-10+,18-11+.
What are the key properties of (NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine?
(NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine has a molecular weight of 272.74 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(Z)-3-(4-chlorophenyl)-4-pyridin-4-ylbut-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 135696578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).