3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one

C10H17NO2 — CID 7750697

IUPAC3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one
SMILESCC[C@H](CO)/N=C1\CCCC(=O)C1
InChIInChI=1S/C10H17NO2/c1-2-8(7-12)11-9-4-3-5-10(13)6-9/h8,12H,2-7H2,1H3/b11-9+/t8-/m1/s1
InChIKeyCRUMSCCFEHBEFR-ITCPUHJZSA-N
MW183.25 g/mol
LogP1.34
Rot. Bonds3

About 3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one

3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one (PubChem CID 7750697) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one.

Molecular Properties

Compound Name3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one
PubChem CID7750697
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one
SMILESCC[C@H](CO)/N=C1\CCCC(=O)C1
InChIInChI=1S/C10H17NO2/c1-2-8(7-12)11-9-4-3-5-10(13)6-9/h8,12H,2-7H2,1H3/b11-9+/t8-/m1/s1
InChIKeyCRUMSCCFEHBEFR-ITCPUHJZSA-N
XLogP1.34
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.34
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

(3E)-3-[(2-Hydroxyethyl)imino]cyclohexan-1-one
CID 13375163
3-(3-Hydroxypentan-2-ylimino)cyclohexan-1-one
CID 90059427
3-(2-Hydroxypropylimino)cyclohexan-1-one
CID 123212642
5-(2-Hydroxyethylimino)heptan-3-one
CID 139343060
4-(1-Hydroxybutan-2-ylimino)pentan-2-one
CID 139343080
4-(2-Hydroxycyclohexyl)iminopentan-2-one
CID 139752187
5-(1-Hydroxybutylimino)heptan-3-one
CID 173815351
3-[(2S)-1-hydroxybutan-2-yl]iminocyclohexan-1-one
CID 7750696

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one?
The IUPAC name of 3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one (CID 7750697) is 3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one.
What is the SMILES notation for 3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one?
The canonical SMILES for 3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one is CC[C@H](CO)/N=C1\CCCC(=O)C1.
What is the InChIKey of 3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one?
The InChIKey is CRUMSCCFEHBEFR-ITCPUHJZSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-8(7-12)11-9-4-3-5-10(13)6-9/h8,12H,2-7H2,1H3/b11-9+/t8-/m1/s1.
What are the key properties of 3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one?
3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-hydroxybutan-2-yl]iminocyclohexan-1-one is sourced from PubChem (CID 7750697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).