1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane

C11H18N2 — CID 144955040

IUPAC1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane
SMILESCC.CC1=CC2N=CC=CC2N1C
InChIInChI=1S/C9H12N2.C2H6/c1-7-6-8-9(11(7)2)4-3-5-10-8;1-2/h3-6,8-9H,1-2H3;1-2H3
InChIKeyDFVMMLXCSWDKQR-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.24
Rot. Bonds

About 1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane

1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane (PubChem CID 144955040) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane.

Molecular Properties

Compound Name1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane
PubChem CID144955040
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane
SMILESCC.CC1=CC2N=CC=CC2N1C
InChIInChI=1S/C9H12N2.C2H6/c1-7-6-8-9(11(7)2)4-3-5-10-8;1-2/h3-6,8-9H,1-2H3;1-2H3
InChIKeyDFVMMLXCSWDKQR-UHFFFAOYSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 23545925
3,4-Dimethyl-2,3-dihydrocyclopenta[b]pyrazine
CID 53400736
1-Methyl-1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine
CID 57323444
N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine
CID 66612937
N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
CID 67865768
(2S)-N,N,2-trimethyl-2,3-dihydropyridin-3-amine
CID 67991661
1-Methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 91406679
2-Ethyl-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 117611845
1-Methyl-2-propan-2-yl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 118489355
1,2-Dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 118491724
2-Iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 129099055
1-(1-Methyl-3a,7a-dihydropyrrolo[3,2-b]pyridin-2-yl)ethanethiol
CID 138592651

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane?
The IUPAC name of 1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane (CID 144955040) is 1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane.
What is the SMILES notation for 1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane?
The canonical SMILES for 1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane is CC.CC1=CC2N=CC=CC2N1C.
What is the InChIKey of 1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane?
The InChIKey is DFVMMLXCSWDKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-7-6-8-9(11(7)2)4-3-5-10-8;1-2/h3-6,8-9H,1-2H3;1-2H3.
What are the key properties of 1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane?
1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane has a molecular weight of 178.28 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane is sourced from PubChem (CID 144955040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).