(4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one

C12H17NO2 — CID 71465829

IUPAC(4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1OC(=O)N[C@@H]1C1/C=C\C=C/CCC1
InChIInChI=1S/C12H17NO2/c1-9-11(13-12(14)15-9)10-7-5-3-2-4-6-8-10/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,13,14)/b3-2-,7-5-/t9-,10?,11+/m1/s1
InChIKeySOBQYMIMVNSGHZ-PJQMPTTCSA-N
MW207.27 g/mol
LogP2.40
Rot. Bonds1

About (4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one

(4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 71465829) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID71465829
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1OC(=O)N[C@@H]1C1/C=C\C=C/CCC1
InChIInChI=1S/C12H17NO2/c1-9-11(13-12(14)15-9)10-7-5-3-2-4-6-8-10/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,13,14)/b3-2-,7-5-/t9-,10?,11+/m1/s1
InChIKeySOBQYMIMVNSGHZ-PJQMPTTCSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4R,5R)-4-cyclohexyl-5-ethenyl-1,3-oxazolidin-2-one
CID 134966187
(4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one
CID 11097107
(4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one
CID 11746308
(4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 10242698
5-But-3-enyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 13891051
(4S,5S)-5-but-3-enyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 13891052
(4S,5R)-4-(cyclohexylmethyl)-5-ethenyl-1,3-oxazolidin-2-one
CID 13891108
4-(Cyclohexylmethyl)-5-ethenyl-1,3-oxazolidin-2-one
CID 13891109
(4S,5S)-4-(cyclohexylmethyl)-5-ethenyl-1,3-oxazolidin-2-one
CID 13891110
4(S)-Cyclohexylmethyl-5(R,S)-vinyl-2-oxazolidinone
CID 13891111
(3aR,4E,9aR)-3a,6,7,8,9,9a-hexahydro-3H-cycloocta[d][1,3]oxazol-2-one
CID 57552484
4-(2-Cyclohexa-2,4-dien-1-ylethyl)-1,3-oxazolidin-2-one
CID 68387414

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one (CID 71465829) is (4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one is C[C@H]1OC(=O)N[C@@H]1C1/C=C\C=C/CCC1.
What is the InChIKey of (4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is SOBQYMIMVNSGHZ-PJQMPTTCSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-11(13-12(14)15-9)10-7-5-3-2-4-6-8-10/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,13,14)/b3-2-,7-5-/t9-,10?,11+/m1/s1.
What are the key properties of (4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one?
(4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[(2Z,4Z)-cycloocta-2,4-dien-1-yl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71465829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).