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

C14H25NO — CID 71394806

IUPAC3-(dibutylamino)cyclohex-2-en-1-one
SMILESCCCCN(CCCC)C1=CC(=O)CCC1
InChIInChI=1S/C14H25NO/c1-3-5-10-15(11-6-4-2)13-8-7-9-14(16)12-13/h12H,3-11H2,1-2H3
InChIKeySKERYXCINSLNTC-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.53
Rot. Bonds7

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

3-(dibutylamino)cyclohex-2-en-1-one (PubChem CID 71394806) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(dibutylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(dibutylamino)cyclohex-2-en-1-one
PubChem CID71394806
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-(dibutylamino)cyclohex-2-en-1-one
SMILESCCCCN(CCCC)C1=CC(=O)CCC1
InChIInChI=1S/C14H25NO/c1-3-5-10-15(11-6-4-2)13-8-7-9-14(16)12-13/h12H,3-11H2,1-2H3
InChIKeySKERYXCINSLNTC-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)cyclohex-2-en-1-one?
The IUPAC name of 3-(dibutylamino)cyclohex-2-en-1-one (CID 71394806) is 3-(dibutylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(dibutylamino)cyclohex-2-en-1-one?
The canonical SMILES for 3-(dibutylamino)cyclohex-2-en-1-one is CCCCN(CCCC)C1=CC(=O)CCC1.
What is the InChIKey of 3-(dibutylamino)cyclohex-2-en-1-one?
The InChIKey is SKERYXCINSLNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-5-10-15(11-6-4-2)13-8-7-9-14(16)12-13/h12H,3-11H2,1-2H3.
What are the key properties of 3-(dibutylamino)cyclohex-2-en-1-one?
3-(dibutylamino)cyclohex-2-en-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 71394806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).