(4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C14H21NO2 — CID 135086468

IUPAC(4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C=C=C1CCCCC1
InChIInChI=1S/C14H21NO2/c1-11(2)13-10-17-14(16)15(13)9-8-12-6-4-3-5-7-12/h9,11,13H,3-7,10H2,1-2H3/t13-/m1/s1
InChIKeyYIOZGXXXPQWBIK-CYBMUJFWSA-N
MW235.33 g/mol
LogP3.47
Rot. Bonds2

About (4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 135086468) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID135086468
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C=C=C1CCCCC1
InChIInChI=1S/C14H21NO2/c1-11(2)13-10-17-14(16)15(13)9-8-12-6-4-3-5-7-12/h9,11,13H,3-7,10H2,1-2H3/t13-/m1/s1
InChIKeyYIOZGXXXPQWBIK-CYBMUJFWSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11160463
(4S)-3-[(E)-2-bromohept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11381148
(4S)-3-[(Z)-2-bromohept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11392528
(4S)-3-[(E)-1-iodohept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101247329
(4S)-3-[(Z)-1-iodohept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134921146
(4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135065917
(4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139253389
3-(Cyclohexylidenemethyl)-1,3-oxazolidin-2-one
CID 102490482
3-[(Z)-2-methylhex-1-enyl]-1,3-oxazolidin-2-one
CID 132821450

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 135086468) is (4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C=C=C1CCCCC1.
What is the InChIKey of (4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YIOZGXXXPQWBIK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)13-10-17-14(16)15(13)9-8-12-6-4-3-5-7-12/h9,11,13H,3-7,10H2,1-2H3/t13-/m1/s1.
What are the key properties of (4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 235.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135086468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).