1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol

C16H18N2O — CID 130369255

IUPAC1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol
SMILESCc1ccncc1-c1ccc2c(c1)CCN2C(C)O
InChIInChI=1S/C16H18N2O/c1-11-5-7-17-10-15(11)13-3-4-16-14(9-13)6-8-18(16)12(2)19/h3-5,7,9-10,12,19H,6,8H2,1-2H3
InChIKeySKDPZHYCLTWUOP-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.76
Rot. Bonds2

About 1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol

1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol (PubChem CID 130369255) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol.

Molecular Properties

Compound Name1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol
PubChem CID130369255
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol
SMILESCc1ccncc1-c1ccc2c(c1)CCN2C(C)O
InChIInChI=1S/C16H18N2O/c1-11-5-7-17-10-15(11)13-3-4-16-14(9-13)6-8-18(16)12(2)19/h3-5,7,9-10,12,19H,6,8H2,1-2H3
InChIKeySKDPZHYCLTWUOP-UHFFFAOYSA-N
XLogP2.76
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 197033
CID 197033
CID 227783
CID 227783
CID 621659
CID 621659
CID 12004675
CID 12004675
CID 155554901
CID 155554901
CID 23723472
CID 23723472
CID 13276694
CID 13276694
CID 44126329
CID 44126329
CID 44126330
CID 44126330
CID 44479641
CID 44479641
CID 46913832
CID 46913832
CID 49783392
CID 49783392

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol?
The IUPAC name of 1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol (CID 130369255) is 1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol.
What is the SMILES notation for 1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol?
The canonical SMILES for 1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol is Cc1ccncc1-c1ccc2c(c1)CCN2C(C)O.
What is the InChIKey of 1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol?
The InChIKey is SKDPZHYCLTWUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-5-7-17-10-15(11)13-3-4-16-14(9-13)6-8-18(16)12(2)19/h3-5,7,9-10,12,19H,6,8H2,1-2H3.
What are the key properties of 1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol?
1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol has a molecular weight of 254.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]ethanol is sourced from PubChem (CID 130369255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).