10-prop-2-enylanthracene-9-carbonitrile

C18H13N — CID 13497522

IUPAC10-prop-2-enylanthracene-9-carbonitrile
SMILESC=CCc1c2ccccc2c(C#N)c2ccccc12
InChIInChI=1S/C18H13N/c1-2-7-13-14-8-3-5-10-16(14)18(12-19)17-11-6-4-9-15(13)17/h2-6,8-11H,1,7H2
InChIKeyAFQLAILPZVIUPD-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.59
Rot. Bonds2

About 10-prop-2-enylanthracene-9-carbonitrile

10-prop-2-enylanthracene-9-carbonitrile (PubChem CID 13497522) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is 10-prop-2-enylanthracene-9-carbonitrile.

Molecular Properties

Compound Name10-prop-2-enylanthracene-9-carbonitrile
PubChem CID13497522
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Name10-prop-2-enylanthracene-9-carbonitrile
SMILESC=CCc1c2ccccc2c(C#N)c2ccccc12
InChIInChI=1S/C18H13N/c1-2-7-13-14-8-3-5-10-16(14)18(12-19)17-11-6-4-9-15(13)17/h2-6,8-11H,1,7H2
InChIKeyAFQLAILPZVIUPD-UHFFFAOYSA-N
XLogP4.59
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,6-bis(prop-2-enyl)benzonitrile
CID 67300787
10-methylanthracene-9-carbonitrile
CID 12617916
10-bromoanthracene-9-carbonitrile
CID 11543731
2,4,5-tris(prop-2-enyl)benzene-1,3-dicarbonitrile
CID 175548476
2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile
CID 145213372
4,5-dihydroxy-2-prop-2-enylbenzene-1,3-dicarbonitrile
CID 90016422
2-prop-2-enylbenzene-1,3,5-tricarbonitrile
CID 91802152
2-oxo-4-pent-4-enylchromene-3-carbonitrile
CID 102371513
3-prop-2-enyl-1H-indol-2-ol
CID 141031189
1-Allyldimethylsilyl-4-bromo-naphthalene
CID 70178551
10-benzoylanthracene-9-carbonitrile
CID 71356838
10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile
CID 86230221

Frequently Asked Questions

What is the IUPAC name of 10-prop-2-enylanthracene-9-carbonitrile?
The IUPAC name of 10-prop-2-enylanthracene-9-carbonitrile (CID 13497522) is 10-prop-2-enylanthracene-9-carbonitrile.
What is the SMILES notation for 10-prop-2-enylanthracene-9-carbonitrile?
The canonical SMILES for 10-prop-2-enylanthracene-9-carbonitrile is C=CCc1c2ccccc2c(C#N)c2ccccc12.
What is the InChIKey of 10-prop-2-enylanthracene-9-carbonitrile?
The InChIKey is AFQLAILPZVIUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N/c1-2-7-13-14-8-3-5-10-16(14)18(12-19)17-11-6-4-9-15(13)17/h2-6,8-11H,1,7H2.
What are the key properties of 10-prop-2-enylanthracene-9-carbonitrile?
10-prop-2-enylanthracene-9-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-prop-2-enylanthracene-9-carbonitrile is sourced from PubChem (CID 13497522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).