(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol

C11H18N2O — CID 595357

IUPAC(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol
SMILESCC1CN(C)C(C)c2cc(CO)[nH]c21
InChIInChI=1S/C11H18N2O/c1-7-5-13(3)8(2)10-4-9(6-14)12-11(7)10/h4,7-8,12,14H,5-6H2,1-3H3
InChIKeyXKSSDOPLHGIGJV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.62
Rot. Bonds1

About (4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol

(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol (PubChem CID 595357) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol.

Molecular Properties

Compound Name(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol
PubChem CID595357
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol
SMILESCC1CN(C)C(C)c2cc(CO)[nH]c21
InChIInChI=1S/C11H18N2O/c1-7-5-13(3)8(2)10-4-9(6-14)12-11(7)10/h4,7-8,12,14H,5-6H2,1-3H3
InChIKeyXKSSDOPLHGIGJV-UHFFFAOYSA-N
XLogP1.62
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol?
The IUPAC name of (4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol (CID 595357) is (4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol.
What is the SMILES notation for (4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol?
The canonical SMILES for (4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol is CC1CN(C)C(C)c2cc(CO)[nH]c21.
What is the InChIKey of (4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol?
The InChIKey is XKSSDOPLHGIGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-5-13(3)8(2)10-4-9(6-14)12-11(7)10/h4,7-8,12,14H,5-6H2,1-3H3.
What are the key properties of (4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol?
(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol has a molecular weight of 194.28 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanol is sourced from PubChem (CID 595357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).