3,7-dimethyl-3a,7a-dihydro-3H-indole

C10H13N — CID 90874043

IUPAC3,7-dimethyl-3a,7a-dihydro-3H-indole
SMILESCC1=CC=CC2C(C)C=NC12
InChIInChI=1S/C10H13N/c1-7-4-3-5-9-8(2)6-11-10(7)9/h3-6,8-10H,1-2H3
InChIKeyDJHRHHKKXHYTOP-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.21
Rot. Bonds

About 3,7-dimethyl-3a,7a-dihydro-3H-indole

3,7-dimethyl-3a,7a-dihydro-3H-indole (PubChem CID 90874043) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3,7-dimethyl-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Name3,7-dimethyl-3a,7a-dihydro-3H-indole
PubChem CID90874043
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3,7-dimethyl-3a,7a-dihydro-3H-indole
SMILESCC1=CC=CC2C(C)C=NC12
InChIInChI=1S/C10H13N/c1-7-4-3-5-9-8(2)6-11-10(7)9/h3-6,8-10H,1-2H3
InChIKeyDJHRHHKKXHYTOP-UHFFFAOYSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole
CID 91299299
2,3,3-Trimethyl-3a,7a-dihydroindole
CID 17797756
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
3a,4-dihydro-1H-isoindole
CID 54009157
8-Azatricyclo[10.4.0.02,7]hexadeca-3,5,8,11,13,15-hexaene
CID 54068551
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
4,5,5a,9a-tetrahydro-3H-1-benzazepine
CID 54378898
(8aS)-3,4,4a,8a-tetrahydroquinoline
CID 56628707
4,4a,4b,8a-tetrahydro-1H-pyrido[3,4-b]indole
CID 57046091
3a,6,7,7a-tetrahydro-1H-isoindole
CID 57114703
(8aR)-3,4,4a,8a-tetrahydroquinoline
CID 57135717
3a,7a-dihydro-3H-indole
CID 57316999

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3a,7a-dihydro-3H-indole?
The IUPAC name of 3,7-dimethyl-3a,7a-dihydro-3H-indole (CID 90874043) is 3,7-dimethyl-3a,7a-dihydro-3H-indole.
What is the SMILES notation for 3,7-dimethyl-3a,7a-dihydro-3H-indole?
The canonical SMILES for 3,7-dimethyl-3a,7a-dihydro-3H-indole is CC1=CC=CC2C(C)C=NC12.
What is the InChIKey of 3,7-dimethyl-3a,7a-dihydro-3H-indole?
The InChIKey is DJHRHHKKXHYTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-7-4-3-5-9-8(2)6-11-10(7)9/h3-6,8-10H,1-2H3.
What are the key properties of 3,7-dimethyl-3a,7a-dihydro-3H-indole?
3,7-dimethyl-3a,7a-dihydro-3H-indole has a molecular weight of 147.22 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 90874043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).