N-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine

C14H12N2O2 — CID 53321888

IUPACN-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine
SMILESO=Nc1ccc(/C=C/c2ccccc2)cc1NO
InChIInChI=1S/C14H12N2O2/c17-15-13-9-8-12(10-14(13)16-18)7-6-11-4-2-1-3-5-11/h1-10,16,18H/b7-6+
InChIKeyKFCBYPSQTVVUTN-VOTSOKGWSA-N
MW240.26 g/mol
LogP4.06
Rot. Bonds4

About N-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine

N-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine (PubChem CID 53321888) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine
PubChem CID53321888
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC NameN-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine
SMILESO=Nc1ccc(/C=C/c2ccccc2)cc1NO
InChIInChI=1S/C14H12N2O2/c17-15-13-9-8-12(10-14(13)16-18)7-6-11-4-2-1-3-5-11/h1-10,16,18H/b7-6+
InChIKeyKFCBYPSQTVVUTN-VOTSOKGWSA-N
XLogP4.06
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

acetic acid;N-(2-nitrosophenyl)hydroxylamine
CID 160560764
acetic acid;stilbene
CID 172803728
2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid
CID 18405742
methyl (E)-3-(3,4-dinitrosophenyl)prop-2-enoate
CID 88910633
2-acetamido-5-(2-phenylethenyl)benzoic acid
CID 70120363
3-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid
CID 67720414
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
CID 70569152
CID 70569152
CID 70567885
CID 70567885
4-(2-phenylethenyl)phenol
CID 157400568
stilbene;sulfuric acid
CID 67612140
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315

Frequently Asked Questions

What is the IUPAC name of N-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine?
The IUPAC name of N-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine (CID 53321888) is N-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine.
What is the SMILES notation for N-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine?
The canonical SMILES for N-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine is O=Nc1ccc(/C=C/c2ccccc2)cc1NO.
What is the InChIKey of N-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine?
The InChIKey is KFCBYPSQTVVUTN-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-15-13-9-8-12(10-14(13)16-18)7-6-11-4-2-1-3-5-11/h1-10,16,18H/b7-6+.
What are the key properties of N-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine?
N-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine has a molecular weight of 240.26 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine is sourced from PubChem (CID 53321888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).