ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol

C14H25NO2 — CID 143448351

IUPACethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol
SMILESC=C/C=C\C=C/CN1C[C@H](C)C1=O.CC.CO
InChIInChI=1S/C11H15NO.C2H6.CH4O/c1-3-4-5-6-7-8-12-9-10(2)11(12)13;2*1-2/h3-7,10H,1,8-9H2,2H3;1-2H3;2H,1H3/b5-4-,7-6-;;/t10-;;/m0../s1
InChIKeyJTBYHIGKPLSVSF-NEQOUCBMSA-N
MW239.36 g/mol
LogP2.40
Rot. Bonds4

About ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol

ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol (PubChem CID 143448351) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol.

Molecular Properties

Compound Nameethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol
PubChem CID143448351
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol
SMILESC=C/C=C\C=C/CN1C[C@H](C)C1=O.CC.CO
InChIInChI=1S/C11H15NO.C2H6.CH4O/c1-3-4-5-6-7-8-12-9-10(2)11(12)13;2*1-2/h3-7,10H,1,8-9H2,2H3;1-2H3;2H,1H3/b5-4-,7-6-;;/t10-;;/m0../s1
InChIKeyJTBYHIGKPLSVSF-NEQOUCBMSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one
CID 13104228
(3S,6S)-1,3-dibenzyl-6-methyl-4-prop-2-enyl-1,4-diazepane-2,5-dione
CID 58982527
(4E,6Z)-nona-4,6,8-triene-1,1-diol
CID 153499491
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848
5-(bromomethyl)-3-[(2E,5Z)-octa-2,5,7-trien-2-yl]-1,3-oxazolidin-2-one;ethane
CID 143838433
deca-1,3,5,7-tetraene
CID 54238998
2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde
CID 58689344
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188
docosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 91543808
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
(3R)-3-methyl-1-prop-2-enylpyrrolidine-2,5-dione
CID 15757783
1-but-3-enyl-5-methyl-1,3-diazinane-2,4-dione
CID 78176488

Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol?
The IUPAC name of ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol (CID 143448351) is ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol.
What is the SMILES notation for ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol?
The canonical SMILES for ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol is C=C/C=C\C=C/CN1C[C@H](C)C1=O.CC.CO.
What is the InChIKey of ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol?
The InChIKey is JTBYHIGKPLSVSF-NEQOUCBMSA-N. The full InChI is InChI=1S/C11H15NO.C2H6.CH4O/c1-3-4-5-6-7-8-12-9-10(2)11(12)13;2*1-2/h3-7,10H,1,8-9H2,2H3;1-2H3;2H,1H3/b5-4-,7-6-;;/t10-;;/m0../s1.
What are the key properties of ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol?
ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol has a molecular weight of 239.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol is sourced from PubChem (CID 143448351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).