6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one

C13H18N2O — CID 177147400

IUPAC6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCc1cc2c(c(C(C)C)cn2C)c(=O)[nH]1
InChIInChI=1S/C13H18N2O/c1-5-9-6-11-12(13(16)14-9)10(8(2)3)7-15(11)4/h6-8H,5H2,1-4H3,(H,14,16)
InChIKeyIKCSEGMLZUJLMW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.55
Rot. Bonds2

About 6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one

6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 177147400) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID177147400
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCc1cc2c(c(C(C)C)cn2C)c(=O)[nH]1
InChIInChI=1S/C13H18N2O/c1-5-9-6-11-12(13(16)14-9)10(8(2)3)7-15(11)4/h6-8H,5H2,1-4H3,(H,14,16)
InChIKeyIKCSEGMLZUJLMW-UHFFFAOYSA-N
XLogP2.55
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one (CID 177147400) is 6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one is CCc1cc2c(c(C(C)C)cn2C)c(=O)[nH]1.
What is the InChIKey of 6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is IKCSEGMLZUJLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-5-9-6-11-12(13(16)14-9)10(8(2)3)7-15(11)4/h6-8H,5H2,1-4H3,(H,14,16).
What are the key properties of 6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one?
6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 218.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 177147400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).