2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride

C14H19ClN2 — CID 68813353

IUPAC2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride
SMILESCC(C)=CCn1c(C)c(C)c2ccncc21.Cl
InChIInChI=1S/C14H18N2.ClH/c1-10(2)6-8-16-12(4)11(3)13-5-7-15-9-14(13)16;/h5-7,9H,8H2,1-4H3;1H
InChIKeyHRKGPLQGXYGYNX-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.04
Rot. Bonds2

About 2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride

2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride (PubChem CID 68813353) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride
PubChem CID68813353
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride
SMILESCC(C)=CCn1c(C)c(C)c2ccncc21.Cl
InChIInChI=1S/C14H18N2.ClH/c1-10(2)6-8-16-12(4)11(3)13-5-7-15-9-14(13)16;/h5-7,9H,8H2,1-4H3;1H
InChIKeyHRKGPLQGXYGYNX-UHFFFAOYSA-N
XLogP4.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.04
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

2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine
CID 68810894
5-[2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridin-7-yl]oxyisoquinoline
CID 91158714
1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 141136088
1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 106185000
9-prop-2-enylpyrido[3,4-b]indole
CID 53258041
(3E,5E,8Z,9Z,12E,14Z,17Z)-17-[(Z)-3-(2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl)prop-1-enyl]-15-ethenyl-6-ethyl-8-ethylidene-N-methylicosa-1,3,5,9,12,14,17,19-octaen-3-amine
CID 142955102
1,3-dimethylpyrrolo[2,3-c]pyridine
CID 59430828
1,2-dimethyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-c]pyridine
CID 143015909
5,6-dimethyl-2,8-phenanthroline
CID 139435789
5-N-(3-methylbut-2-enyl)isoquinoline-5,8-diamine
CID 114155060
9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium
CID 59176535
3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol
CID 143836551

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride?
The IUPAC name of 2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride (CID 68813353) is 2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride is CC(C)=CCn1c(C)c(C)c2ccncc21.Cl.
What is the InChIKey of 2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride?
The InChIKey is HRKGPLQGXYGYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.ClH/c1-10(2)6-8-16-12(4)11(3)13-5-7-15-9-14(13)16;/h5-7,9H,8H2,1-4H3;1H.
What are the key properties of 2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride?
2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(3-methylbut-2-enyl)pyrrolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 68813353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).