9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile

C17H14N2 — CID 70442821

IUPAC9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile
SMILESC=CC(N)C1(C#N)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H14N2/c1-2-16(19)17(11-18)14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h2-10,16H,1,19H2
InChIKeyPXXUZXPNKCHIQS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.99
Rot. Bonds2

About 9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile

9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile (PubChem CID 70442821) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile.

Molecular Properties

Compound Name9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile
PubChem CID70442821
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile
SMILESC=CC(N)C1(C#N)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H14N2/c1-2-16(19)17(11-18)14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h2-10,16H,1,19H2
InChIKeyPXXUZXPNKCHIQS-UHFFFAOYSA-N
XLogP2.99
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile?
The IUPAC name of 9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile (CID 70442821) is 9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile.
What is the SMILES notation for 9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile?
The canonical SMILES for 9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile is C=CC(N)C1(C#N)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile?
The InChIKey is PXXUZXPNKCHIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-2-16(19)17(11-18)14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h2-10,16H,1,19H2.
What are the key properties of 9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile?
9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-aminoprop-2-enyl)fluorene-9-carbonitrile is sourced from PubChem (CID 70442821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).