6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile

C17H14N2 — CID 163560085

IUPAC6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile
SMILESCC1C[C@@H]1c1ccc2[nH]c3c(C#N)cccc3c2c1
InChIInChI=1S/C17H14N2/c1-10-7-14(10)11-5-6-16-15(8-11)13-4-2-3-12(9-18)17(13)19-16/h2-6,8,10,14,19H,7H2,1H3/t10?,14-/m0/s1
InChIKeyFQMOPDSQVVIYRK-SBNLOKMTSA-N
MW246.31 g/mol
LogP4.32
Rot. Bonds1

About 6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile

6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile (PubChem CID 163560085) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile.

Molecular Properties

Compound Name6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile
PubChem CID163560085
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile
SMILESCC1C[C@@H]1c1ccc2[nH]c3c(C#N)cccc3c2c1
InChIInChI=1S/C17H14N2/c1-10-7-14(10)11-5-6-16-15(8-11)13-4-2-3-12(9-18)17(13)19-16/h2-6,8,10,14,19H,7H2,1H3/t10?,14-/m0/s1
InChIKeyFQMOPDSQVVIYRK-SBNLOKMTSA-N
XLogP4.32
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile?
The IUPAC name of 6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile (CID 163560085) is 6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile.
What is the SMILES notation for 6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile?
The canonical SMILES for 6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile is CC1C[C@@H]1c1ccc2[nH]c3c(C#N)cccc3c2c1.
What is the InChIKey of 6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile?
The InChIKey is FQMOPDSQVVIYRK-SBNLOKMTSA-N. The full InChI is InChI=1S/C17H14N2/c1-10-7-14(10)11-5-6-16-15(8-11)13-4-2-3-12(9-18)17(13)19-16/h2-6,8,10,14,19H,7H2,1H3/t10?,14-/m0/s1.
What are the key properties of 6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile?
6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-2-methylcyclopropyl]-9H-carbazole-1-carbonitrile is sourced from PubChem (CID 163560085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).