3-(cyclopentylamino)cyclohex-2-en-1-one

C11H17NO — CID 67828719

IUPAC3-(cyclopentylamino)cyclohex-2-en-1-one
SMILESO=C1C=C(NC2CCCC2)CCC1
InChIInChI=1S/C11H17NO/c13-11-7-3-6-10(8-11)12-9-4-1-2-5-9/h8-9,12H,1-7H2
InChIKeyFFOCSUHSBNNNGA-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.16
Rot. Bonds2

About 3-(cyclopentylamino)cyclohex-2-en-1-one

3-(cyclopentylamino)cyclohex-2-en-1-one (PubChem CID 67828719) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(cyclopentylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(cyclopentylamino)cyclohex-2-en-1-one
PubChem CID67828719
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(cyclopentylamino)cyclohex-2-en-1-one
SMILESO=C1C=C(NC2CCCC2)CCC1
InChIInChI=1S/C11H17NO/c13-11-7-3-6-10(8-11)12-9-4-1-2-5-9/h8-9,12H,1-7H2
InChIKeyFFOCSUHSBNNNGA-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-3-(n-propylamino)cyclohex-2-en-1-one
CID 143371
3-(Cyclohexylamino)cyclohex-2-en-1-one
CID 319576
5,5-Dimethyl-3-(i-propylamino)cyclohex-2-en-1-one
CID 144925
ST50979434
CID 319578
3-(Methylamino)cyclohex-2-en-1-one
CID 2751256
3-(Ethylamino)cyclohex-2-en-1-one
CID 2751402
3-Isopropylaminocyclohex-2-enone
CID 21625915
3-(Butylamino)cyclohex-2-EN-1-one
CID 14396537
(Z)-4-(cyclohexylamino)pent-3-en-2-one
CID 11063031
4-(Cyclohexylamino)-3-penten-2-one
CID 68500602
3-(Ethylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 280256
3-(Hexylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 319577

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)cyclohex-2-en-1-one?
The IUPAC name of 3-(cyclopentylamino)cyclohex-2-en-1-one (CID 67828719) is 3-(cyclopentylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(cyclopentylamino)cyclohex-2-en-1-one?
The canonical SMILES for 3-(cyclopentylamino)cyclohex-2-en-1-one is O=C1C=C(NC2CCCC2)CCC1.
What is the InChIKey of 3-(cyclopentylamino)cyclohex-2-en-1-one?
The InChIKey is FFOCSUHSBNNNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-11-7-3-6-10(8-11)12-9-4-1-2-5-9/h8-9,12H,1-7H2.
What are the key properties of 3-(cyclopentylamino)cyclohex-2-en-1-one?
3-(cyclopentylamino)cyclohex-2-en-1-one has a molecular weight of 179.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 67828719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).