2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile

C13H10N2 — CID 130570318

IUPAC2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile
SMILESCC1CC(=C(C#N)C#N)c2ccccc21
InChIInChI=1S/C13H10N2/c1-9-6-13(10(7-14)8-15)12-5-3-2-4-11(9)12/h2-5,9H,6H2,1H3
InChIKeyYTSSLXJLQSFBKM-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.99
Rot. Bonds

About 2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile

2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile (PubChem CID 130570318) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile
PubChem CID130570318
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile
SMILESCC1CC(=C(C#N)C#N)c2ccccc21
InChIInChI=1S/C13H10N2/c1-9-6-13(10(7-14)8-15)12-5-3-2-4-11(9)12/h2-5,9H,6H2,1H3
InChIKeyYTSSLXJLQSFBKM-UHFFFAOYSA-N
XLogP2.99
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile
CID 46183786
1-methyl-3-methylidene-1,2-dihydroindene
CID 59797400
2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride
CID 70619369
1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene
CID 159998004
(2Z)-2-(4-methyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)acetic acid
CID 101030638
3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 21040228
1,4-dimethyl-1,2-dihydronaphthalene
CID 19377181
2-[3-(dicyanomethylidene)-4-ethoxyinden-1-ylidene]propanedinitrile
CID 86218714
2-[3-(dicyanomethylidene)-1H-2-benzofuran-1-yl]propanedinitrile
CID 3494567
ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate
CID 142632126
1-methyl-4-methylidene-2,3-dihydro-1H-naphthalene
CID 13067250
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile?
The IUPAC name of 2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile (CID 130570318) is 2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile.
What is the SMILES notation for 2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile?
The canonical SMILES for 2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile is CC1CC(=C(C#N)C#N)c2ccccc21.
What is the InChIKey of 2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile?
The InChIKey is YTSSLXJLQSFBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-9-6-13(10(7-14)8-15)12-5-3-2-4-11(9)12/h2-5,9H,6H2,1H3.
What are the key properties of 2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile?
2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile has a molecular weight of 194.24 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile is sourced from PubChem (CID 130570318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).