3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one

C15H23NO3 — CID 135161721

IUPAC3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one
SMILESCC(=O)C(C)C1NC(=O)C1(C)[C@@H](O)C1C=CCCC1
InChIInChI=1S/C15H23NO3/c1-9(10(2)17)12-15(3,14(19)16-12)13(18)11-7-5-4-6-8-11/h5,7,9,11-13,18H,4,6,8H2,1-3H3,(H,16,19)/t9?,11?,12?,13-,15?/m0/s1
InChIKeyMGAZCRBRCYANFO-LGJAAXBMSA-N
MW265.35 g/mol
LogP1.43
Rot. Bonds4

About 3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one

3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one (PubChem CID 135161721) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one.

Molecular Properties

Compound Name3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one
PubChem CID135161721
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one
SMILESCC(=O)C(C)C1NC(=O)C1(C)[C@@H](O)C1C=CCCC1
InChIInChI=1S/C15H23NO3/c1-9(10(2)17)12-15(3,14(19)16-12)13(18)11-7-5-4-6-8-11/h5,7,9,11-13,18H,4,6,8H2,1-3H3,(H,16,19)/t9?,11?,12?,13-,15?/m0/s1
InChIKeyMGAZCRBRCYANFO-LGJAAXBMSA-N
XLogP1.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one?
The IUPAC name of 3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one (CID 135161721) is 3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one.
What is the SMILES notation for 3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one?
The canonical SMILES for 3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one is CC(=O)C(C)C1NC(=O)C1(C)[C@@H](O)C1C=CCCC1.
What is the InChIKey of 3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one?
The InChIKey is MGAZCRBRCYANFO-LGJAAXBMSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(10(2)17)12-15(3,14(19)16-12)13(18)11-7-5-4-6-8-11/h5,7,9,11-13,18H,4,6,8H2,1-3H3,(H,16,19)/t9?,11?,12?,13-,15?/m0/s1.
What are the key properties of 3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one?
3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one has a molecular weight of 265.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-methyl-4-(3-oxobutan-2-yl)azetidin-2-one is sourced from PubChem (CID 135161721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).