1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile

C21H19N3 — CID 158134397

IUPAC1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile
SMILESCc1cccc(-n2c(C(C)C)c(C#N)c3cc4c(cc32)C=NC4)c1
InChIInChI=1S/C21H19N3/c1-13(2)21-19(10-22)18-8-15-11-23-12-16(15)9-20(18)24(21)17-6-4-5-14(3)7-17/h4-9,12-13H,11H2,1-3H3
InChIKeyLALXTHAXDWUTEX-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.87
Rot. Bonds2

About 1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile

1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile (PubChem CID 158134397) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile
PubChem CID158134397
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile
SMILESCc1cccc(-n2c(C(C)C)c(C#N)c3cc4c(cc32)C=NC4)c1
InChIInChI=1S/C21H19N3/c1-13(2)21-19(10-22)18-8-15-11-23-12-16(15)9-20(18)24(21)17-6-4-5-14(3)7-17/h4-9,12-13H,11H2,1-3H3
InChIKeyLALXTHAXDWUTEX-UHFFFAOYSA-N
XLogP4.87
TPSA41.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile
CID 159022051
5-(3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile
CID 146522286
2-[amino-(3-methylphenyl)methyl]-1-methylindole-3-carbonitrile
CID 22299760
ethane;9-(3-methylphenyl)carbazole
CID 143904684
1-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]piperidin-4-amine
CID 117210699
2-(3-methylphenyl)-1H-phthalazine
CID 71560617
3-methyl-9-(3-propan-2-ylphenyl)carbazole
CID 163993337
2-(chloromethyl)-1-(3-methylphenyl)benzimidazole-4-carbonitrile
CID 104719319
3-[4-fluoro-1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 157496698
6-methyl-9-phenylcarbazole-2-carbonitrile
CID 129176191
cyanic acid;1,3-xylene
CID 174785758
2-methyl-6-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;2-methyl-7-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;6-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole-3-carbonitrile
CID 160584678

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile?
The IUPAC name of 1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile (CID 158134397) is 1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile.
What is the SMILES notation for 1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile?
The canonical SMILES for 1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile is Cc1cccc(-n2c(C(C)C)c(C#N)c3cc4c(cc32)C=NC4)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile?
The InChIKey is LALXTHAXDWUTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-13(2)21-19(10-22)18-8-15-11-23-12-16(15)9-20(18)24(21)17-6-4-5-14(3)7-17/h4-9,12-13H,11H2,1-3H3.
What are the key properties of 1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile?
1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile has a molecular weight of 313.40 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole-3-carbonitrile is sourced from PubChem (CID 158134397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).