(NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine

C13H21NO — CID 6244081

IUPAC(NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine
SMILESCC1=CCCC(C)(C)C1/C=C/C(C)=N\O
InChIInChI=1S/C13H21NO/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14-15/h6-8,12,15H,5,9H2,1-4H3/b8-7+,14-11-
InChIKeyOALLCRUMOOPPIK-UWWXTLEHSA-N
MW207.32 g/mol
LogP3.78
Rot. Bonds2

About (NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine

(NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine (PubChem CID 6244081) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine
PubChem CID6244081
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine
SMILESCC1=CCCC(C)(C)C1/C=C/C(C)=N\O
InChIInChI=1S/C13H21NO/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14-15/h6-8,12,15H,5,9H2,1-4H3/b8-7+,14-11-
InChIKeyOALLCRUMOOPPIK-UWWXTLEHSA-N
XLogP3.78
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

(1E)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one oxime
CID 5380452
2,4,4,7-Tetramethylnona-6,8-dien-3-one oxime
CID 6432934
N-(2,4,4,7-Tetramethylnona-6,8-dien-3-ylidene)hydroxylamine
CID 3019015
(Z,E)-N-pentoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine
CID 44626452
(E,E)-N-(2-methylpropoxy)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine
CID 44626449
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, oxime
CID 97028
(NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine
CID 6508017
(E,E)-N-butoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine
CID 44626447
(Z,E)-N-butoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine
CID 44626448
(Z,E)-N-(2-methylpropoxy)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine
CID 44626450
(E,E)-N-pentoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine
CID 44626451
(E,E)-N-(3-methylbutoxy)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine
CID 44626453

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine (CID 6244081) is (NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine is CC1=CCCC(C)(C)C1/C=C/C(C)=N\O.
What is the InChIKey of (NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine?
The InChIKey is OALLCRUMOOPPIK-UWWXTLEHSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14-15/h6-8,12,15H,5,9H2,1-4H3/b8-7+,14-11-.
What are the key properties of (NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine?
(NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine has a molecular weight of 207.32 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 6244081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).