(3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole

C13H16ClNOSi — CID 10468074

IUPAC(3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole
SMILESC=CC[Si]1(Cl)O[C@@H]2Cc3ccccc3[C@@H]2N1C
InChIInChI=1S/C13H16ClNOSi/c1-3-8-17(14)15(2)13-11-7-5-4-6-10(11)9-12(13)16-17/h3-7,12-13H,1,8-9H2,2H3/t12-,13+,17?/m1/s1
InChIKeyWRWBESCVZKDZTM-LABGONDVSA-N
MW265.82 g/mol
LogP2.98
Rot. Bonds2

About (3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole

(3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole (PubChem CID 10468074) has the molecular formula C13H16ClNOSi and a molecular weight of 265.82 g/mol. Its IUPAC name is (3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole.

Molecular Properties

Compound Name(3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole
PubChem CID10468074
Molecular FormulaC13H16ClNOSi
Molecular Weight265.82 g/mol
Exact Mass265.07
IUPAC Name(3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole
SMILESC=CC[Si]1(Cl)O[C@@H]2Cc3ccccc3[C@@H]2N1C
InChIInChI=1S/C13H16ClNOSi/c1-3-8-17(14)15(2)13-11-7-5-4-6-10(11)9-12(13)16-17/h3-7,12-13H,1,8-9H2,2H3/t12-,13+,17?/m1/s1
InChIKeyWRWBESCVZKDZTM-LABGONDVSA-N
XLogP2.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.82
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
CID 44138428
(1S,2R)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
CID 53306659
(3aR,8bS)-1-prop-2-ynyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole
CID 87574497
(8bR)-2-chloro-3-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[2,1-d][1,3,2]oxazasilole
CID 134963660
(3aR)-2-[(Z)-but-2-enyl]-2-chloro-1-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole
CID 135079375
(3aR)-2-[(E)-but-2-enyl]-2-chloro-1-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole
CID 135079477
2,3-dihydro-1-(1-pyrrolidinyl)-1H inden-2-ol
CID 14126783
trans-2,3-dihydro-2-hydroxy-(pyrrolidin-1-yl)-1H-indene
CID 14126784
(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
CID 14126785
1-methyl-4,8b-dihydro-3aH-indeno[1,2-d]oxathiazole 2-oxide
CID 21032393
CID 59029760
CID 59029760
CID 59029763
CID 59029763

Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole?
The IUPAC name of (3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole (CID 10468074) is (3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole.
What is the SMILES notation for (3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole?
The canonical SMILES for (3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole is C=CC[Si]1(Cl)O[C@@H]2Cc3ccccc3[C@@H]2N1C.
What is the InChIKey of (3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole?
The InChIKey is WRWBESCVZKDZTM-LABGONDVSA-N. The full InChI is InChI=1S/C13H16ClNOSi/c1-3-8-17(14)15(2)13-11-7-5-4-6-10(11)9-12(13)16-17/h3-7,12-13H,1,8-9H2,2H3/t12-,13+,17?/m1/s1.
What are the key properties of (3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole?
(3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole has a molecular weight of 265.82 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-2-chloro-1-methyl-2-prop-2-enyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3,2]oxazasilole is sourced from PubChem (CID 10468074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).