ethane;1-(3-iminocyclopentyl)propan-2-one

C12H25NO — CID 176955658

IUPACethane;1-(3-iminocyclopentyl)propan-2-one
SMILESCC.CC.[H]/N=C1\CCC(CC(C)=O)C1
InChIInChI=1S/C8H13NO.2C2H6/c1-6(10)4-7-2-3-8(9)5-7;2*1-2/h7,9H,2-5H2,1H3;2*1-2H3/b9-8+;;
InChIKeyVOWGDVMSVSHOAR-YEUQMBKVSA-N
MW199.34 g/mol
LogP3.84
Rot. Bonds2

About ethane;1-(3-iminocyclopentyl)propan-2-one

ethane;1-(3-iminocyclopentyl)propan-2-one (PubChem CID 176955658) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;1-(3-iminocyclopentyl)propan-2-one.

Molecular Properties

Compound Nameethane;1-(3-iminocyclopentyl)propan-2-one
PubChem CID176955658
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;1-(3-iminocyclopentyl)propan-2-one
SMILESCC.CC.[H]/N=C1\CCC(CC(C)=O)C1
InChIInChI=1S/C8H13NO.2C2H6/c1-6(10)4-7-2-3-8(9)5-7;2*1-2/h7,9H,2-5H2,1H3;2*1-2H3/b9-8+;;
InChIKeyVOWGDVMSVSHOAR-YEUQMBKVSA-N
XLogP3.84
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 175123721
1-(4-methanimidoylcyclohexyl)propan-2-one
CID 166884507
ethyl 2-(4-hydroxyimino-3-iminocyclohexyl)acetate
CID 174095177
1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-one
CID 84735782
4-(cyclobutylmethylamino)butan-2-one
CID 115235753
1-[(3R)-3-methylcyclohexyl]propan-2-one
CID 130348727
1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one
CID 98010324
5-ethyl-2-(2-oxopropyl)cyclohexane-1,3-dione
CID 139990116
1-(1-acetylpiperidin-4-yl)propan-2-one
CID 20685211
4-(2-oxopropyl)azetidin-2-one
CID 10887909
1-cyclopentylpropan-2-one;thiophene
CID 174397115
1-(thiolan-3-yl)propan-2-one
CID 82651393

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-iminocyclopentyl)propan-2-one?
The IUPAC name of ethane;1-(3-iminocyclopentyl)propan-2-one (CID 176955658) is ethane;1-(3-iminocyclopentyl)propan-2-one.
What is the SMILES notation for ethane;1-(3-iminocyclopentyl)propan-2-one?
The canonical SMILES for ethane;1-(3-iminocyclopentyl)propan-2-one is CC.CC.[H]/N=C1\CCC(CC(C)=O)C1.
What is the InChIKey of ethane;1-(3-iminocyclopentyl)propan-2-one?
The InChIKey is VOWGDVMSVSHOAR-YEUQMBKVSA-N. The full InChI is InChI=1S/C8H13NO.2C2H6/c1-6(10)4-7-2-3-8(9)5-7;2*1-2/h7,9H,2-5H2,1H3;2*1-2H3/b9-8+;;.
What are the key properties of ethane;1-(3-iminocyclopentyl)propan-2-one?
ethane;1-(3-iminocyclopentyl)propan-2-one has a molecular weight of 199.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-iminocyclopentyl)propan-2-one is sourced from PubChem (CID 176955658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).