(8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one

C19H29NO3 — CID 146682053

IUPAC(8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one
SMILESCCCCCC/C=C\CCCC(=O)C1=C(O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C19H29NO3/c1-2-3-4-5-6-7-8-9-10-13-16(21)17-18(22)15-12-11-14-20(15)19(17)23/h7-8,15,22H,2-6,9-14H2,1H3/b8-7-/t15-/m0/s1
InChIKeyCEGXALHNHLDMPM-LZNQSLFOSA-N
MW319.44 g/mol
LogP4.07
Rot. Bonds10

About (8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one

(8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one (PubChem CID 146682053) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is (8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name(8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one
PubChem CID146682053
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name(8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one
SMILESCCCCCC/C=C\CCCC(=O)C1=C(O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C19H29NO3/c1-2-3-4-5-6-7-8-9-10-13-16(21)17-18(22)15-12-11-14-20(15)19(17)23/h7-8,15,22H,2-6,9-14H2,1H3/b8-7-/t15-/m0/s1
InChIKeyCEGXALHNHLDMPM-LZNQSLFOSA-N
XLogP4.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one?
The IUPAC name of (8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one (CID 146682053) is (8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one.
What is the SMILES notation for (8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one?
The canonical SMILES for (8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one is CCCCCC/C=C\CCCC(=O)C1=C(O)[C@@H]2CCCN2C1=O.
What is the InChIKey of (8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one?
The InChIKey is CEGXALHNHLDMPM-LZNQSLFOSA-N. The full InChI is InChI=1S/C19H29NO3/c1-2-3-4-5-6-7-8-9-10-13-16(21)17-18(22)15-12-11-14-20(15)19(17)23/h7-8,15,22H,2-6,9-14H2,1H3/b8-7-/t15-/m0/s1.
What are the key properties of (8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one?
(8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one has a molecular weight of 319.44 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-[(Z)-dodec-5-enoyl]-1-hydroxy-5,6,7,8-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 146682053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).