2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole

C13H19NO — CID 112715804

IUPAC2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole
SMILESCC(C)c1cc2c(o1)C1NCCC1CC2
InChIInChI=1S/C13H19NO/c1-8(2)11-7-10-4-3-9-5-6-14-12(9)13(10)15-11/h7-9,12,14H,3-6H2,1-2H3
InChIKeyBHPKUSTZKVXMBL-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.00
Rot. Bonds1

About 2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole

2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole (PubChem CID 112715804) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole.

Molecular Properties

Compound Name2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole
PubChem CID112715804
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole
SMILESCC(C)c1cc2c(o1)C1NCCC1CC2
InChIInChI=1S/C13H19NO/c1-8(2)11-7-10-4-3-9-5-6-14-12(9)13(10)15-11/h7-9,12,14H,3-6H2,1-2H3
InChIKeyBHPKUSTZKVXMBL-UHFFFAOYSA-N
XLogP3.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole
CID 112714220
8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole
CID 83877829
1-cyclopropyl-6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 62373264
1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one
CID 162751013
2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-4-ol
CID 155577749
3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine
CID 83835431
1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 83367596
6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole
CID 83878665
6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 112511947
7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline
CID 83887769
9-chloro-1,2,3,3a,4,5,6,10b-octahydropyrrolo[3,2-d][1]benzazepine
CID 171725247
5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
CID 42575806

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole?
The IUPAC name of 2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole (CID 112715804) is 2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole.
What is the SMILES notation for 2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole?
The canonical SMILES for 2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole is CC(C)c1cc2c(o1)C1NCCC1CC2.
What is the InChIKey of 2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole?
The InChIKey is BHPKUSTZKVXMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8(2)11-7-10-4-3-9-5-6-14-12(9)13(10)15-11/h7-9,12,14H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole?
2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole has a molecular weight of 205.30 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole is sourced from PubChem (CID 112715804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).