3-(9H-fluoren-9-yl)prop-2-enenitrile

C16H11N — CID 175423309

IUPAC3-(9H-fluoren-9-yl)prop-2-enenitrile
SMILESN#CC=CC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H11N/c17-11-5-10-16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16/h1-10,16H
InChIKeyCYZPCTQZUFTCCS-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.88
Rot. Bonds1

About 3-(9H-fluoren-9-yl)prop-2-enenitrile

3-(9H-fluoren-9-yl)prop-2-enenitrile (PubChem CID 175423309) has the molecular formula C16H11N and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(9H-fluoren-9-yl)prop-2-enenitrile.

Molecular Properties

Compound Name3-(9H-fluoren-9-yl)prop-2-enenitrile
PubChem CID175423309
Molecular FormulaC16H11N
Molecular Weight217.27 g/mol
Exact Mass217.09
IUPAC Name3-(9H-fluoren-9-yl)prop-2-enenitrile
SMILESN#CC=CC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H11N/c17-11-5-10-16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16/h1-10,16H
InChIKeyCYZPCTQZUFTCCS-UHFFFAOYSA-N
XLogP3.88
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9H-fluorene-9-carbaldehyde
CID 11074281
9,10-dihydrophenanthrene-9,10-dicarbonitrile
CID 13028861
(E)-3-(9H-fluoren-9-yl)prop-2-enoic acid
CID 102191450
2-[(2,3-dioxo-1H-inden-1-yl)methylidene]propanedinitrile
CID 18625073
hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate
CID 139648482
(E)-3-(2-methyl-4H-3,1-benzoxazin-4-yl)prop-2-enenitrile
CID 100929947
9-fluoro-9H-fluorene
CID 12685099
[2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide
CID 102121873
6H-benzo[c]chromene-6-carbonitrile
CID 3068340
9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate
CID 148733041
9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene
CID 57275436
3-(9H-fluoren-9-ylamino)-2-methylpropanenitrile
CID 62646365

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-yl)prop-2-enenitrile?
The IUPAC name of 3-(9H-fluoren-9-yl)prop-2-enenitrile (CID 175423309) is 3-(9H-fluoren-9-yl)prop-2-enenitrile.
What is the SMILES notation for 3-(9H-fluoren-9-yl)prop-2-enenitrile?
The canonical SMILES for 3-(9H-fluoren-9-yl)prop-2-enenitrile is N#CC=CC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-9-yl)prop-2-enenitrile?
The InChIKey is CYZPCTQZUFTCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N/c17-11-5-10-16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16/h1-10,16H.
What are the key properties of 3-(9H-fluoren-9-yl)prop-2-enenitrile?
3-(9H-fluoren-9-yl)prop-2-enenitrile has a molecular weight of 217.27 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-yl)prop-2-enenitrile is sourced from PubChem (CID 175423309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).