2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile

C16H10N2 — CID 87085090

IUPAC2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1CCc2cc3ccccc3cc21
InChIInChI=1S/C16H10N2/c17-9-14(10-18)15-6-5-13-7-11-3-1-2-4-12(11)8-16(13)15/h1-4,7-8H,5-6H2
InChIKeyZGTCTIGDAKWHOR-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.59
Rot. Bonds

About 2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile

2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile (PubChem CID 87085090) has the molecular formula C16H10N2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile
PubChem CID87085090
Molecular FormulaC16H10N2
Molecular Weight230.27 g/mol
Exact Mass230.08
IUPAC Name2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1CCc2cc3ccccc3cc21
InChIInChI=1S/C16H10N2/c17-9-14(10-18)15-6-5-13-7-11-3-1-2-4-12(11)8-16(13)15/h1-4,7-8H,5-6H2
InChIKeyZGTCTIGDAKWHOR-UHFFFAOYSA-N
XLogP3.59
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.59
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

2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile
CID 55264302
2-isocyano-2-(2-methylidene-1H-cyclopenta[b]naphthalen-3-ylidene)acetonitrile
CID 72576976
[11-(dicyanomethylidene)benzo[b]fluoren-2-yl]boronic acid
CID 164575374
nonacyclo[19.16.0.03,19.04,17.06,15.08,13.023,36.025,34.027,32]heptatriaconta-1(37),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33,35-octadecaene
CID 59787194
hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
CID 58250867
methane;1,2,3,4-tetrahydroanthracene
CID 158805495
13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene
CID 10125506
2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene
CID 18715218
2,3-dihydroanthracene-1,4-diol
CID 141072383
2-(3-methyl-2,3-dihydroinden-1-ylidene)propanedinitrile
CID 130570318
2-[1-(naphthalen-2-ylmethyl)-2-oxoindol-3-ylidene]propanedinitrile
CID 1426026
9,10-dihydrophenanthrene-2-carbonitrile
CID 141332736

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile?
The IUPAC name of 2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile (CID 87085090) is 2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile.
What is the SMILES notation for 2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile?
The canonical SMILES for 2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile is N#CC(C#N)=C1CCc2cc3ccccc3cc21.
What is the InChIKey of 2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile?
The InChIKey is ZGTCTIGDAKWHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2/c17-9-14(10-18)15-6-5-13-7-11-3-1-2-4-12(11)8-16(13)15/h1-4,7-8H,5-6H2.
What are the key properties of 2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile?
2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile has a molecular weight of 230.27 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydrocyclopenta[b]naphthalen-3-ylidene)propanedinitrile is sourced from PubChem (CID 87085090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).