(NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine

C15H22N2O2 — CID 177497665

IUPAC(NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine
SMILESC#CCCCC(/C=N\O)(/C=N/O)C[C@@H]1C=CCCC1
InChIInChI=1S/C15H22N2O2/c1-2-3-7-10-15(12-16-18,13-17-19)11-14-8-5-4-6-9-14/h1,5,8,12-14,18-19H,3-4,6-7,9-11H2/b16-12-,17-13+/t14-,15?/m1/s1
InChIKeyNMYUUFOEWDXTRU-LACJDOFYSA-N
MW262.35 g/mol
LogP3.44
Rot. Bonds7

About (NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine

(NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine (PubChem CID 177497665) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine
PubChem CID177497665
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine
SMILESC#CCCCC(/C=N\O)(/C=N/O)C[C@@H]1C=CCCC1
InChIInChI=1S/C15H22N2O2/c1-2-3-7-10-15(12-16-18,13-17-19)11-14-8-5-4-6-9-14/h1,5,8,12-14,18-19H,3-4,6-7,9-11H2/b16-12-,17-13+/t14-,15?/m1/s1
InChIKeyNMYUUFOEWDXTRU-LACJDOFYSA-N
XLogP3.44
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

3-(2,2-dimethylpropyl)cyclohexene
CID 19985552
2-cyclohex-2-en-1-yl-1-cyclopentylethanone
CID 114620361
cyclohex-2-en-1-ylmethanol;phosphoric acid
CID 174366936
(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene
CID 134966711
2-cyclohexylhept-6-yn-2-ol
CID 114794902
3-[(2S)-2,3-dimethylbutyl]cyclohexene
CID 163836569
(3R)-3-hexylcyclohexene
CID 144775192
S-(cyclohex-2-en-1-ylmethyl) 2-aminoethanethioate
CID 123527787
3-(butoxymethyl)cyclohexene
CID 143541702
3-(2-methylpropyl)cycloheptene
CID 54543527
6-cyclohex-2-en-1-ylhexyl cyclopropanecarboxylate
CID 70552607
cyclohex-2-en-1-yl prop-2-ynoate
CID 14249454

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine (CID 177497665) is (NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine is C#CCCCC(/C=N\O)(/C=N/O)C[C@@H]1C=CCCC1.
What is the InChIKey of (NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine?
The InChIKey is NMYUUFOEWDXTRU-LACJDOFYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-7-10-15(12-16-18,13-17-19)11-14-8-5-4-6-9-14/h1,5,8,12-14,18-19H,3-4,6-7,9-11H2/b16-12-,17-13+/t14-,15?/m1/s1.
What are the key properties of (NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine?
(NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine has a molecular weight of 262.35 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[[(1R)-cyclohex-2-en-1-yl]methyl]-2-[(Z)-hydroxyiminomethyl]hept-6-ynylidene]hydroxylamine is sourced from PubChem (CID 177497665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).