1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine

C11H16N2 — CID 58845164

IUPAC1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine
SMILESCC(C)(C)N1CCc2ccncc21
InChIInChI=1S/C11H16N2/c1-11(2,3)13-7-5-9-4-6-12-8-10(9)13/h4,6,8H,5,7H2,1-3H3
InChIKeyGIEUHOVSPOVZIP-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.24
Rot. Bonds

About 1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine

1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine (PubChem CID 58845164) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine
PubChem CID58845164
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine
SMILESCC(C)(C)N1CCc2ccncc21
InChIInChI=1S/C11H16N2/c1-11(2,3)13-7-5-9-4-6-12-8-10(9)13/h4,6,8H,5,7H2,1-3H3
InChIKeyGIEUHOVSPOVZIP-UHFFFAOYSA-N
XLogP2.24
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3,4-dihydropyrido[3,4-c]oxazine
CID 89212010
5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine
CID 58845167
2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylpropanal
CID 118292696
CID 158124284
CID 158124284
1-methyl-3,4-dihydro-2H-1,6-naphthyridine
CID 45079501
1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine
CID 140914125
1-tert-butyl-5-ethyl-2,3-dihydroindole
CID 170202737
5-tert-butyl-7,8-dihydro-6H-pteridine
CID 170288989
3-ethyl-1-methyl-4,5-dihydro-3H-pyrido[3,4-b]azepin-2-one
CID 156842913
tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate
CID 11020412
ethane;1-methyl-3,4-dihydro-2H-1,7-naphthyridine;6-methyl-1-propan-2-yl-3,4-dihydro-2H-1,7-naphthyridine
CID 176983675
2-(2,3-dihydroindol-1-yl)-2-methylpropanal
CID 130948019

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine?
The IUPAC name of 1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine (CID 58845164) is 1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine is CC(C)(C)N1CCc2ccncc21.
What is the InChIKey of 1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine?
The InChIKey is GIEUHOVSPOVZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2,3)13-7-5-9-4-6-12-8-10(9)13/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine?
1-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine has a molecular weight of 176.26 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-tert-butyl-2,3-dihydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 58845164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).