(1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile

C15H18N2O — CID 163534636

IUPAC(1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCC1(C)OCCN1[C@H]1CCc2c(C#N)cccc21
InChIInChI=1S/C15H18N2O/c1-15(2)17(8-9-18-15)14-7-6-12-11(10-16)4-3-5-13(12)14/h3-5,14H,6-9H2,1-2H3/t14-/m0/s1
InChIKeyDVXIUGFXYDSCLR-AWEZNQCLSA-N
MW242.32 g/mol
LogP2.61
Rot. Bonds1

About (1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile

(1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 163534636) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Name(1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID163534636
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCC1(C)OCCN1[C@H]1CCc2c(C#N)cccc21
InChIInChI=1S/C15H18N2O/c1-15(2)17(8-9-18-15)14-7-6-12-11(10-16)4-3-5-13(12)14/h3-5,14H,6-9H2,1-2H3/t14-/m0/s1
InChIKeyDVXIUGFXYDSCLR-AWEZNQCLSA-N
XLogP2.61
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-indene-4-carbonitrile
CID 90356337
(1S)-1-amino-1-deuterio-2,3-dihydroindene-4-carbonitrile;hydrochloride
CID 158658327
(1S)-1-[2-(methylamino)ethyl]-3,4-dihydro-1H-isochromene-5-carbonitrile
CID 134218408
(5S)-5-formyl-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 124584420
tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate
CID 52938554
2-methyl-3,4-dihydro-1H-isoquinoline-5-carbonitrile
CID 14528786
(6R)-6-amino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 55294355
2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile
CID 11535874
(6aS)-11-chloro-12-hydroxy-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepine-4-carbonitrile
CID 71026295
1-acetyl-2,3-dihydroindole-4-carbonitrile
CID 82655574
1-(2-methylmorpholin-4-yl)-2,3-dihydro-1H-inden-4-ol
CID 82977779
1-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile;4-(2-hydroxyethanimidoyl)-2,3-dihydro-1H-inden-1-ol
CID 158308014

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of (1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile (CID 163534636) is (1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for (1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for (1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile is CC1(C)OCCN1[C@H]1CCc2c(C#N)cccc21.
What is the InChIKey of (1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is DVXIUGFXYDSCLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2)17(8-9-18-15)14-7-6-12-11(10-16)4-3-5-13(12)14/h3-5,14H,6-9H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile?
(1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 163534636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).