N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine

C19H13NO — CID 175354087

IUPACN-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine
SMILESON=C(C#Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H13NO/c21-20-19(14-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12,21H
InChIKeyLSZRNNKSENBSFN-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.07
Rot. Bonds1

About N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine

N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine (PubChem CID 175354087) has the molecular formula C19H13NO and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine
PubChem CID175354087
Molecular FormulaC19H13NO
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC NameN-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine
SMILESON=C(C#Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H13NO/c21-20-19(14-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12,21H
InChIKeyLSZRNNKSENBSFN-UHFFFAOYSA-N
XLogP4.07
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.07
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

N-(dinaphthalen-1-ylmethylidene)hydroxylamine
CID 88653107
(E)-1-naphthalen-1-yl-5-phenylpent-2-en-4-yn-1-one
CID 122385874
(1Z)-N-phenyldiazenylnaphthalene-1-carboximidoyl cyanide
CID 14612181
(NE)-N-[1-(3-chlorophenyl)-3-phenylprop-2-ynylidene]hydroxylamine
CID 175087058
1-naphthalen-1-yl-3-phenylprop-2-yn-1-ol;1-naphthalen-1-yl-3-phenylprop-2-yn-1-one
CID 164951391
(NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine
CID 10920802
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
CID 172736940
CID 172736940
2-tert-butylsulfanyl-1-naphthalen-1-ylethanone
CID 60645589
CID 102208465
CID 102208465
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
naphthalen-1-ylmethyl 3-phenylprop-2-ynoate
CID 14782739

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine?
The IUPAC name of N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine (CID 175354087) is N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine.
What is the SMILES notation for N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine?
The canonical SMILES for N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine is ON=C(C#Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine?
The InChIKey is LSZRNNKSENBSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO/c21-20-19(14-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12,21H.
What are the key properties of N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine?
N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine has a molecular weight of 271.32 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine is sourced from PubChem (CID 175354087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).