(3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine

C10H15NO — CID 146430625

IUPAC(3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine
SMILESCC1([C@@H]2CCON2)C=CC=CC1
InChIInChI=1S/C10H15NO/c1-10(6-3-2-4-7-10)9-5-8-12-11-9/h2-4,6,9,11H,5,7-8H2,1H3/t9-,10?/m0/s1
InChIKeyADSVCIQORAHVSR-RGURZIINSA-N
MW165.24 g/mol
LogP1.80
Rot. Bonds1

About (3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine

(3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine (PubChem CID 146430625) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine
PubChem CID146430625
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine
SMILESCC1([C@@H]2CCON2)C=CC=CC1
InChIInChI=1S/C10H15NO/c1-10(6-3-2-4-7-10)9-5-8-12-11-9/h2-4,6,9,11H,5,7-8H2,1H3/t9-,10?/m0/s1
InChIKeyADSVCIQORAHVSR-RGURZIINSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine?
The IUPAC name of (3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine (CID 146430625) is (3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine.
What is the SMILES notation for (3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine?
The canonical SMILES for (3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine is CC1([C@@H]2CCON2)C=CC=CC1.
What is the InChIKey of (3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine?
The InChIKey is ADSVCIQORAHVSR-RGURZIINSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(6-3-2-4-7-10)9-5-8-12-11-9/h2-4,6,9,11H,5,7-8H2,1H3/t9-,10?/m0/s1.
What are the key properties of (3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine?
(3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine has a molecular weight of 165.24 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-methylcyclohexa-2,4-dien-1-yl)-1,2-oxazolidine is sourced from PubChem (CID 146430625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).