(4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde

C6H11NO2 — CID 59229762

IUPAC(4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde
SMILESCC1(C)N[C@H](C=O)CO1
InChIInChI=1S/C6H11NO2/c1-6(2)7-5(3-8)4-9-6/h3,5,7H,4H2,1-2H3/t5-/m1/s1
InChIKeyHNAMFGHJTXKMPW-RXMQYKEDSA-N
MW129.16 g/mol
LogP-0.09
Rot. Bonds1

About (4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde

(4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde (PubChem CID 59229762) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde
PubChem CID59229762
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde
SMILESCC1(C)N[C@H](C=O)CO1
InChIInChI=1S/C6H11NO2/c1-6(2)7-5(3-8)4-9-6/h3,5,7H,4H2,1-2H3/t5-/m1/s1
InChIKeyHNAMFGHJTXKMPW-RXMQYKEDSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde
CID 174372294
(4R)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde
CID 15175420
2-Ethylamino-3-methoxypropionaldehyde
CID 20357026
Ethyl 1,3-oxazolidine-4-carboxylate
CID 20437351
2,2,3-Trimethyl-1,3-oxazolidine-4-carbaldehyde
CID 21612929
2,2-Dimethyl-1,3-oxazolidine-4-carbaldehyde
CID 22602330
1-(2,2-Dimethyl-1,3-oxazolidin-3-ium-4-yl)ethanone dichloride
CID 23219381
Methyl 2,2-dimethyloxazolidine-4-carboxylate
CID 45090330
(S)-methyl 2,2-dimethyloxazolidine-4-carboxylate
CID 45090331
4-Oxazolecarbaldehyde
CID 53697311
(4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde
CID 59040553
(4R)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde
CID 59884474

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde?
The IUPAC name of (4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde (CID 59229762) is (4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde.
What is the SMILES notation for (4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde?
The canonical SMILES for (4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde is CC1(C)N[C@H](C=O)CO1.
What is the InChIKey of (4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde?
The InChIKey is HNAMFGHJTXKMPW-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(2)7-5(3-8)4-9-6/h3,5,7H,4H2,1-2H3/t5-/m1/s1.
What are the key properties of (4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde?
(4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde has a molecular weight of 129.16 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde is sourced from PubChem (CID 59229762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).