(E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one

C24H43NO — CID 58163586

IUPAC(E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one
SMILESCN(C)CCCCC(=O)CCCC/C=C/CCCCCC[C@H]1C=CCC1
InChIInChI=1S/C24H43NO/c1-25(2)22-16-15-21-24(26)20-12-10-8-6-4-3-5-7-9-11-17-23-18-13-14-19-23/h4,6,13,18,23H,3,5,7-12,14-17,19-22H2,1-2H3/b6-4+/t23-/m0/s1
InChIKeyAAVULILUKQHVTE-DOHLAZSCSA-N
MW361.61 g/mol
LogP6.71
Rot. Bonds17

About (E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one

(E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one (PubChem CID 58163586) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is (E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one.

Molecular Properties

Compound Name(E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one
PubChem CID58163586
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC Name(E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one
SMILESCN(C)CCCCC(=O)CCCC/C=C/CCCCCC[C@H]1C=CCC1
InChIInChI=1S/C24H43NO/c1-25(2)22-16-15-21-24(26)20-12-10-8-6-4-3-5-7-9-11-17-23-18-13-14-19-23/h4,6,13,18,23H,3,5,7-12,14-17,19-22H2,1-2H3/b6-4+/t23-/m0/s1
InChIKeyAAVULILUKQHVTE-DOHLAZSCSA-N
XLogP6.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 56.71
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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Related Compounds

(2,3-Dioleoylpropyl)-trimethylammonium chloride
CID 25033028
1,2-dioleoyl-N,N-dimethyl-3-aminopropane
CID 25261104
Trimethyl-(2-octadec-9-enoyl-4-oxohenicos-12-enyl)azanium
CID 54481206
1,2-Dilinoleoyl-3-dimethylaminopropane
CID 87059499
Trimethyl-(3-octadec-9-enoyl-4-oxohenicos-12-enyl)azanium
CID 91281259
(2,3-Dioleoyl-propyl)-trimethylamine
CID 140870796
Dioleoylpropyl trimethyl ammonium chloride
CID 141252038
5-[(Dimethylamino)methyl]-2-octylcyclopent-2-en-1-one
CID 362666
(2E)-2-decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one
CID 5467301
trimethyl-[(Z)-2-[(Z)-octadec-9-enoyl]-4-oxohenicos-12-enyl]azanium
CID 24948808
19-[(Dimethylamino)methyl]octatriaconta-9,29-diene-18,21-dione
CID 53799909
(E,4S,5R,6R)-2,5,6-trimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one
CID 57682408

Frequently Asked Questions

What is the IUPAC name of (E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one?
The IUPAC name of (E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one (CID 58163586) is (E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one.
What is the SMILES notation for (E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one?
The canonical SMILES for (E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one is CN(C)CCCCC(=O)CCCC/C=C/CCCCCC[C@H]1C=CCC1.
What is the InChIKey of (E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one?
The InChIKey is AAVULILUKQHVTE-DOHLAZSCSA-N. The full InChI is InChI=1S/C24H43NO/c1-25(2)22-16-15-21-24(26)20-12-10-8-6-4-3-5-7-9-11-17-23-18-13-14-19-23/h4,6,13,18,23H,3,5,7-12,14-17,19-22H2,1-2H3/b6-4+/t23-/m0/s1.
What are the key properties of (E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one?
(E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one has a molecular weight of 361.61 g/mol, XLogP of 6.71, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadec-10-en-5-one is sourced from PubChem (CID 58163586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).