1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine

C12H14N2 — CID 10932162

IUPAC1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine
SMILESC=CCc1c(C)c2cnccc2n1C
InChIInChI=1S/C12H14N2/c1-4-5-11-9(2)10-8-13-7-6-12(10)14(11)3/h4,6-8H,1,5H2,2-3H3
InChIKeyOPSZWCHQNWWBBX-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.61
Rot. Bonds2

About 1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine

1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine (PubChem CID 10932162) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine
PubChem CID10932162
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine
SMILESC=CCc1c(C)c2cnccc2n1C
InChIInChI=1S/C12H14N2/c1-4-5-11-9(2)10-8-13-7-6-12(10)14(11)3/h4,6-8H,1,5H2,2-3H3
InChIKeyOPSZWCHQNWWBBX-UHFFFAOYSA-N
XLogP2.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride
CID 69398558
1,3-dimethyl-2-(2-methylphenyl)pyrrolo[3,2-c]pyridine
CID 101004021
11-iodo-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 144891245
ethane;3-methyl-4-prop-2-enylpyridine
CID 143260115
8-[3-prop-2-enyl-4-[2-prop-2-enyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159465317
1,2,4,5-tetramethylimidazo[1,2-a][1,6]naphthyridine
CID 122523467
1-methyl-3-phenylsulfanyl-2-prop-2-enylindole
CID 134960351
N-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine
CID 142955060
5-methylbenzo[c][1,6]naphthyridin-6-one
CID 10727152
1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 82415580
azane;1,3-dimethylpyrazolo[4,5-c]pyridine
CID 175481142
N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 107234763

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine?
The IUPAC name of 1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine (CID 10932162) is 1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine is C=CCc1c(C)c2cnccc2n1C.
What is the InChIKey of 1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine?
The InChIKey is OPSZWCHQNWWBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-4-5-11-9(2)10-8-13-7-6-12(10)14(11)3/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine?
1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine has a molecular weight of 186.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-prop-2-enylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 10932162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).