(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine

C9H11NO — CID 10534827

IUPAC(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine
SMILESO/[15N]=C/CCc1ccccc1
InChIInChI=1S/C9H11NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8,11H,4,7H2/b10-8+/i10+1
InChIKeyWSTRHGOVAOUOJW-GDNCACDRSA-N
MW150.19 g/mol
LogP2.08
Rot. Bonds3

About (NE)-N-(3-phenylpropylidene)(15N)hydroxylamine

(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine (PubChem CID 10534827) has the molecular formula C9H11NO and a molecular weight of 150.19 g/mol. Its IUPAC name is (NE)-N-(3-phenylpropylidene)(15N)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine
PubChem CID10534827
Molecular FormulaC9H11NO
Molecular Weight150.19 g/mol
Exact Mass150.08
IUPAC Name(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine
SMILESO/[15N]=C/CCc1ccccc1
InChIInChI=1S/C9H11NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8,11H,4,7H2/b10-8+/i10+1
InChIKeyWSTRHGOVAOUOJW-GDNCACDRSA-N
XLogP2.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 52.08
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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Related Compounds

2-(3-phenylpropylideneamino)guanidine
CID 5053229
N-methoxy-3-phenylpropan-1-imine
CID 73200493
but-3-enylbenzene;silver
CID 174999453
N'-(3-phenylpropylideneamino)oxamide
CID 4674915
1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea
CID 6231259
benzene;2-phenylethylbenzene
CID 18982764
3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid
CID 110841503
2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline
CID 9466517
N-(5-phenylpent-4-ynylidene)hydroxylamine
CID 168876172
3-phenylpropyl N-hydroxymethanimidate
CID 174745582
(NE)-N-[(Z)-6-phenylhex-5-enylidene]hydroxylamine
CID 177427914
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-phenylpropylidene)(15N)hydroxylamine?
The IUPAC name of (NE)-N-(3-phenylpropylidene)(15N)hydroxylamine (CID 10534827) is (NE)-N-(3-phenylpropylidene)(15N)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-phenylpropylidene)(15N)hydroxylamine?
The canonical SMILES for (NE)-N-(3-phenylpropylidene)(15N)hydroxylamine is O/[15N]=C/CCc1ccccc1.
What is the InChIKey of (NE)-N-(3-phenylpropylidene)(15N)hydroxylamine?
The InChIKey is WSTRHGOVAOUOJW-GDNCACDRSA-N. The full InChI is InChI=1S/C9H11NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8,11H,4,7H2/b10-8+/i10+1.
What are the key properties of (NE)-N-(3-phenylpropylidene)(15N)hydroxylamine?
(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine has a molecular weight of 150.19 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-phenylpropylidene)(15N)hydroxylamine is sourced from PubChem (CID 10534827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).