3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one

C15H27NO — CID 167334621

IUPAC3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one
SMILESC=CCCCC(CCCC=C)(C(C)=O)N(C)C
InChIInChI=1S/C15H27NO/c1-6-8-10-12-15(14(3)17,16(4)5)13-11-9-7-2/h6-7H,1-2,8-13H2,3-5H3
InChIKeyJWKYPADPKPWHSO-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.59
Rot. Bonds10

About 3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one

3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one (PubChem CID 167334621) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one
PubChem CID167334621
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one
SMILESC=CCCCC(CCCC=C)(C(C)=O)N(C)C
InChIInChI=1S/C15H27NO/c1-6-8-10-12-15(14(3)17,16(4)5)13-11-9-7-2/h6-7H,1-2,8-13H2,3-5H3
InChIKeyJWKYPADPKPWHSO-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one?
The IUPAC name of 3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one (CID 167334621) is 3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one.
What is the SMILES notation for 3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one?
The canonical SMILES for 3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one is C=CCCCC(CCCC=C)(C(C)=O)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one?
The InChIKey is JWKYPADPKPWHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-6-8-10-12-15(14(3)17,16(4)5)13-11-9-7-2/h6-7H,1-2,8-13H2,3-5H3.
What are the key properties of 3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one?
3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one has a molecular weight of 237.39 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-pent-4-enyloct-7-en-2-one is sourced from PubChem (CID 167334621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).