2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one

C16H25NO2 — CID 135416729

IUPAC2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
SMILESC/C(=N\C1CCCCC1)C1=C(O)CC(C)(C)CC1=O
InChIInChI=1S/C16H25NO2/c1-11(17-12-7-5-4-6-8-12)15-13(18)9-16(2,3)10-14(15)19/h12,18H,4-10H2,1-3H3/b17-11+
InChIKeyDTMCIYCSULIWHU-GZTJUZNOSA-N
MW263.38 g/mol
LogP3.98
Rot. Bonds2

About 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one

2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 135416729) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
PubChem CID135416729
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
SMILESC/C(=N\C1CCCCC1)C1=C(O)CC(C)(C)CC1=O
InChIInChI=1S/C16H25NO2/c1-11(17-12-7-5-4-6-8-12)15-13(18)9-16(2,3)10-14(15)19/h12,18H,4-10H2,1-3H3/b17-11+
InChIKeyDTMCIYCSULIWHU-GZTJUZNOSA-N
XLogP3.98
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 135423493
CID 135423493
CID 135423494
CID 135423494
CID 135519983
CID 135519983
CID 135401625
CID 135401625
CID 135435903
CID 135435903
CID 135411356
CID 135411356
CID 135423552
CID 135423552
CID 135435549
CID 135435549
CID 135435891
CID 135435891
CID 135423495
CID 135423495
CID 145981165
CID 145981165
CID 135439136
CID 135439136

Frequently Asked Questions

What is the IUPAC name of 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one (CID 135416729) is 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one is C/C(=N\C1CCCCC1)C1=C(O)CC(C)(C)CC1=O.
What is the InChIKey of 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is DTMCIYCSULIWHU-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(17-12-7-5-4-6-8-12)15-13(18)9-16(2,3)10-14(15)19/h12,18H,4-10H2,1-3H3/b17-11+.
What are the key properties of 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one?
2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 135416729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).