[1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

C13H16N2O — CID 66416049

IUPAC[1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESC=C(CC)Cn1cc(CO)c2cccnc21
InChIInChI=1S/C13H16N2O/c1-3-10(2)7-15-8-11(9-16)12-5-4-6-14-13(12)15/h4-6,8,16H,2-3,7,9H2,1H3
InChIKeyVXOHGPWUMYDBAU-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.49
Rot. Bonds4

About [1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

[1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66416049) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66416049
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESC=C(CC)Cn1cc(CO)c2cccnc21
InChIInChI=1S/C13H16N2O/c1-3-10(2)7-15-8-11(9-16)12-5-4-6-14-13(12)15/h4-6,8,16H,2-3,7,9H2,1H3
InChIKeyVXOHGPWUMYDBAU-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414288
2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide
CID 66415870
(1-but-2-ynylpyrrolo[2,3-b]pyridin-3-yl)methanol
CID 66416644
[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66415275
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414895
3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide
CID 66414687
[1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416443
[1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66415282
[1-[(3,4-dimethylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414898
(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66414119
2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide
CID 66416054
[1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416460

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66416049) is [1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is C=C(CC)Cn1cc(CO)c2cccnc21.
What is the InChIKey of [1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is VXOHGPWUMYDBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-10(2)7-15-8-11(9-16)12-5-4-6-14-13(12)15/h4-6,8,16H,2-3,7,9H2,1H3.
What are the key properties of [1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 216.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66416049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).