1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone

C11H19NO — CID 15562636

IUPAC1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone
SMILESCCCNC1=CCCC(C(C)=O)C1
InChIInChI=1S/C11H19NO/c1-3-7-12-11-6-4-5-10(8-11)9(2)13/h6,10,12H,3-5,7-8H2,1-2H3
InChIKeyKGPSHJJRPUNONU-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds4

About 1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone

1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone (PubChem CID 15562636) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone
PubChem CID15562636
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone
SMILESCCCNC1=CCCC(C(C)=O)C1
InChIInChI=1S/C11H19NO/c1-3-7-12-11-6-4-5-10(8-11)9(2)13/h6,10,12H,3-5,7-8H2,1-2H3
InChIKeyKGPSHJJRPUNONU-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone?
The IUPAC name of 1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone (CID 15562636) is 1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone.
What is the SMILES notation for 1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone?
The canonical SMILES for 1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone is CCCNC1=CCCC(C(C)=O)C1.
What is the InChIKey of 1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone?
The InChIKey is KGPSHJJRPUNONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-7-12-11-6-4-5-10(8-11)9(2)13/h6,10,12H,3-5,7-8H2,1-2H3.
What are the key properties of 1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone?
1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone has a molecular weight of 181.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propylamino)cyclohex-3-en-1-yl]ethanone is sourced from PubChem (CID 15562636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).