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

C13H21NO2 — CID 135065917

IUPAC(4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C=C(CCCC)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C13H21NO2/c1-5-7-8-11(6-2)14-12(10(3)4)9-16-13(14)15/h10,12H,2,5,7-9H2,1,3-4H3/t12-/m1/s1
InChIKeyLFNWFNBZGDPXBN-GFCCVEGCSA-N
MW223.32 g/mol
LogP3.32
Rot. Bonds5

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

(4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 135065917) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID135065917
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C=C(CCCC)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C13H21NO2/c1-5-7-8-11(6-2)14-12(10(3)4)9-16-13(14)15/h10,12H,2,5,7-9H2,1,3-4H3/t12-/m1/s1
InChIKeyLFNWFNBZGDPXBN-GFCCVEGCSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3-hexa-1,2,5-trien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101467380
(4S)-3-(2-cyclohexylideneethenyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135086468
(4S)-3-[(E)-hex-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139253389
3-Pentyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 67838387
(4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 67838388
(4S)-3-hex-5-enyl-4-methyl-1,3-oxazolidin-2-one
CID 117766501
(4R)-3-hex-5-enyl-4-methyl-1,3-oxazolidin-2-one
CID 117766533
(4S)-3-pent-4-enyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 152334725
(4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10868379
3-Hepta-1,2-dien-3-yl-1,3-oxazolidin-2-one
CID 44220022

Frequently Asked Questions

What is the IUPAC name of (4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 135065917) is (4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one is C=C=C(CCCC)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is LFNWFNBZGDPXBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-7-8-11(6-2)14-12(10(3)4)9-16-13(14)15/h10,12H,2,5,7-9H2,1,3-4H3/t12-/m1/s1.
What are the key properties of (4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-hepta-1,2-dien-3-yl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135065917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).