(4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one

C19H31NO — CID 163115122

IUPAC(4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one
SMILESCCCCC/C=C\C[C@@H]1C=CC(=O)[C@H]1C/C=C\CCCN
InChIInChI=1S/C19H31NO/c1-2-3-4-5-6-9-12-17-14-15-19(21)18(17)13-10-7-8-11-16-20/h6-7,9-10,14-15,17-18H,2-5,8,11-13,16,20H2,1H3/b9-6-,10-7-/t17-,18+/m1/s1
InChIKeyWWUHSCMZRGPSAD-KDVAVVJSSA-N
MW289.46 g/mol
LogP4.57
Rot. Bonds11

About (4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one

(4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one (PubChem CID 163115122) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one
PubChem CID163115122
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one
SMILESCCCCC/C=C\C[C@@H]1C=CC(=O)[C@H]1C/C=C\CCCN
InChIInChI=1S/C19H31NO/c1-2-3-4-5-6-9-12-17-14-15-19(21)18(17)13-10-7-8-11-16-20/h6-7,9-10,14-15,17-18H,2-5,8,11-13,16,20H2,1H3/b9-6-,10-7-/t17-,18+/m1/s1
InChIKeyWWUHSCMZRGPSAD-KDVAVVJSSA-N
XLogP4.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

7-[(1R,2R)-2-oct-2-enyl-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 71446729
methyl (Z)-7-[(1R,2S)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate
CID 177470035
methyl (Z)-7-[2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate
CID 23426010
methyl (Z)-7-[(1S,2S)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate
CID 102278604
hexadec-4-en-1-amine
CID 123939288
butyl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70686255
(Z)-hexacos-9-en-1-amine
CID 139899136
hexacos-7-en-1-amine
CID 54386716
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-tetradec-7-en-1-amine
CID 10680019
octadec-9-en-1-amine
CID 8219
(Z)-triacont-9-en-1-amine
CID 139626552

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one (CID 163115122) is (4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one is CCCCC/C=C\C[C@@H]1C=CC(=O)[C@H]1C/C=C\CCCN.
What is the InChIKey of (4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one?
The InChIKey is WWUHSCMZRGPSAD-KDVAVVJSSA-N. The full InChI is InChI=1S/C19H31NO/c1-2-3-4-5-6-9-12-17-14-15-19(21)18(17)13-10-7-8-11-16-20/h6-7,9-10,14-15,17-18H,2-5,8,11-13,16,20H2,1H3/b9-6-,10-7-/t17-,18+/m1/s1.
What are the key properties of (4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one?
(4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one has a molecular weight of 289.46 g/mol, XLogP of 4.57, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[(Z)-6-aminohex-2-enyl]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 163115122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).