1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile

C19H15FN2O — CID 156877129

IUPAC1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile
SMILESCc1c(C2(C#N)CC2)c2cc(O)ccc2n1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O/c1-12-18(19(11-21)8-9-19)16-10-15(23)6-7-17(16)22(12)14-4-2-13(20)3-5-14/h2-7,10,23H,8-9H2,1H3
InChIKeyVHWVLTNPAIOAGZ-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.34
Rot. Bonds2

About 1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile

1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile (PubChem CID 156877129) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile
PubChem CID156877129
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile
SMILESCc1c(C2(C#N)CC2)c2cc(O)ccc2n1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O/c1-12-18(19(11-21)8-9-19)16-10-15(23)6-7-17(16)22(12)14-4-2-13(20)3-5-14/h2-7,10,23H,8-9H2,1H3
InChIKeyVHWVLTNPAIOAGZ-UHFFFAOYSA-N
XLogP4.34
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile (CID 156877129) is 1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile is Cc1c(C2(C#N)CC2)c2cc(O)ccc2n1-c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile?
The InChIKey is VHWVLTNPAIOAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c1-12-18(19(11-21)8-9-19)16-10-15(23)6-7-17(16)22(12)14-4-2-13(20)3-5-14/h2-7,10,23H,8-9H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile?
1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile has a molecular weight of 306.34 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-hydroxy-2-methylindol-3-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 156877129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).