5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile

C24H26N2 — CID 156741244

IUPAC5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile
SMILESC=C(Nc1cc(-c2ccc(C(C)C)cc2)c2c(c1C#N)CCC2)C1CC1
InChIInChI=1S/C24H26N2/c1-15(2)17-7-11-19(12-8-17)22-13-24(26-16(3)18-9-10-18)23(14-25)21-6-4-5-20(21)22/h7-8,11-13,15,18,26H,3-6,9-10H2,1-2H3
InChIKeyOMEAZVMMRKLNJJ-UHFFFAOYSA-N
MW342.49 g/mol
LogP6.17
Rot. Bonds5

About 5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile

5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 156741244) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Name5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID156741244
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile
SMILESC=C(Nc1cc(-c2ccc(C(C)C)cc2)c2c(c1C#N)CCC2)C1CC1
InChIInChI=1S/C24H26N2/c1-15(2)17-7-11-19(12-8-17)22-13-24(26-16(3)18-9-10-18)23(14-25)21-6-4-5-20(21)22/h7-8,11-13,15,18,26H,3-6,9-10H2,1-2H3
InChIKeyOMEAZVMMRKLNJJ-UHFFFAOYSA-N
XLogP6.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of 5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile (CID 156741244) is 5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for 5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for 5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile is C=C(Nc1cc(-c2ccc(C(C)C)cc2)c2c(c1C#N)CCC2)C1CC1.
What is the InChIKey of 5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is OMEAZVMMRKLNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2/c1-15(2)17-7-11-19(12-8-17)22-13-24(26-16(3)18-9-10-18)23(14-25)21-6-4-5-20(21)22/h7-8,11-13,15,18,26H,3-6,9-10H2,1-2H3.
What are the key properties of 5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile?
5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 342.49 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethenylamino)-7-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 156741244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).