(NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine

C15H10ClNO — CID 175087058

IUPAC(NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine
SMILESO/N=C(/C#Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H10ClNO/c16-14-8-4-7-13(11-14)15(17-18)10-9-12-5-2-1-3-6-12/h1-8,11,18H/b17-15-
InChIKeyDTQZDRXRONUJNK-ICFOKQHNSA-N
MW255.70 g/mol
LogP3.57
Rot. Bonds1

About (NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine

(NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine (PubChem CID 175087058) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is (NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine
PubChem CID175087058
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name(NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine
SMILESO/N=C(/C#Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H10ClNO/c16-14-8-4-7-13(11-14)15(17-18)10-9-12-5-2-1-3-6-12/h1-8,11,18H/b17-15-
InChIKeyDTQZDRXRONUJNK-ICFOKQHNSA-N
XLogP3.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.57
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

benzoic acid;3-chlorobenzoic acid
CID 162034638
N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine
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tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
N-[3-phenyl-1-(5-phenyl-1,2-oxazol-3-yl)prop-2-ynylidene]hydroxylamine
CID 163201074
N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine
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(NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine
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(1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one
CID 131741133
N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine
CID 142699149
1-chloro-3-[1-(3-chlorophenyl)ethenyl]benzene
CID 10243768
3-(3-chlorophenyl)prop-2-ynamide
CID 22355190
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202
2-(3-chlorophenyl)prop-2-enenitrile
CID 21447869

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine (CID 175087058) is (NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine is O/N=C(/C#Cc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of (NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine?
The InChIKey is DTQZDRXRONUJNK-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H10ClNO/c16-14-8-4-7-13(11-14)15(17-18)10-9-12-5-2-1-3-6-12/h1-8,11,18H/b17-15-.
What are the key properties of (NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine?
(NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine has a molecular weight of 255.70 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine is sourced from PubChem (CID 175087058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).