(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine

C13H15NO — CID 118955028

IUPAC(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine
SMILESCCCCC#C/C(=N\O)c1ccccc1
InChIInChI=1S/C13H15NO/c1-2-3-4-8-11-13(14-15)12-9-6-5-7-10-12/h5-7,9-10,15H,2-4H2,1H3/b14-13+
InChIKeyCBSNKHFBEYWWTP-BUHFOSPRSA-N
MW201.27 g/mol
LogP3.06
Rot. Bonds3

About (NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine

(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine (PubChem CID 118955028) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine
PubChem CID118955028
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine
SMILESCCCCC#C/C(=N\O)c1ccccc1
InChIInChI=1S/C13H15NO/c1-2-3-4-8-11-13(14-15)12-9-6-5-7-10-12/h5-7,9-10,15H,2-4H2,1H3/b14-13+
InChIKeyCBSNKHFBEYWWTP-BUHFOSPRSA-N
XLogP3.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

(NZ)-N-[1-[4-(trifluoromethyl)phenyl]hept-2-ynylidene]hydroxylamine
CID 118955033
5-butyl-4-methyl-3-phenyl-1,2-oxazole;(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine
CID 172953558
oct-1-en-3-yn-2-ylbenzene
CID 86242377
N-tert-butyl-1-phenylpentadec-2-yn-1-imine
CID 71659442
N-hept-2-ynylbenzamide
CID 102291976
(Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol
CID 11279446
1-(2-hept-2-ynoylphenyl)hept-2-yn-1-one
CID 164666066
N-oct-1-ynyl-1,1-diphenylmethanimine
CID 102450748
[(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene
CID 11807093
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine (CID 118955028) is (NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine is CCCCC#C/C(=N\O)c1ccccc1.
What is the InChIKey of (NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine?
The InChIKey is CBSNKHFBEYWWTP-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-3-4-8-11-13(14-15)12-9-6-5-7-10-12/h5-7,9-10,15H,2-4H2,1H3/b14-13+.
What are the key properties of (NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine?
(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine has a molecular weight of 201.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine is sourced from PubChem (CID 118955028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).