2-(4-aminobut-1-enyl)fluoren-9-one

C17H15NO — CID 170487895

IUPAC2-(4-aminobut-1-enyl)fluoren-9-one
SMILESNCCC=Cc1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C17H15NO/c18-10-4-3-5-12-8-9-14-13-6-1-2-7-15(13)17(19)16(14)11-12/h1-3,5-9,11H,4,10,18H2
InChIKeyKSMNFJCNUVCSCJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.26
Rot. Bonds3

About 2-(4-aminobut-1-enyl)fluoren-9-one

2-(4-aminobut-1-enyl)fluoren-9-one (PubChem CID 170487895) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(4-aminobut-1-enyl)fluoren-9-one.

Molecular Properties

Compound Name2-(4-aminobut-1-enyl)fluoren-9-one
PubChem CID170487895
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-(4-aminobut-1-enyl)fluoren-9-one
SMILESNCCC=Cc1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C17H15NO/c18-10-4-3-5-12-8-9-14-13-6-1-2-7-15(13)17(19)16(14)11-12/h1-3,5-9,11H,4,10,18H2
InChIKeyKSMNFJCNUVCSCJ-UHFFFAOYSA-N
XLogP3.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-sulfanylbut-1-enyl)fluoren-9-one
CID 170479323
2-(4-hydroxybut-1-enyl)fluoren-9-one
CID 170477537
2-(12-sulfanyldodec-1-enyl)anthracene-9,10-dione
CID 71375283
3-(3-bromoprop-1-enyl)phenanthrene-9,10-dione
CID 169476439
2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione
CID 175395757
2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione
CID 15152091
(Z)-4-(3-chlorophenyl)but-3-en-1-amine
CID 58679830
2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione
CID 175395708
tert-butyl N-[4-(9,10-dioxophenanthren-3-yl)but-3-enyl]carbamate
CID 170491480
4-(3-fluoro-4-methylphenyl)but-3-en-1-amine
CID 76997063
4-(4-bromo-3-fluorophenyl)but-3-en-1-amine
CID 170487945
4-(4-aminobut-1-enyl)benzaldehyde
CID 170486569

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobut-1-enyl)fluoren-9-one?
The IUPAC name of 2-(4-aminobut-1-enyl)fluoren-9-one (CID 170487895) is 2-(4-aminobut-1-enyl)fluoren-9-one.
What is the SMILES notation for 2-(4-aminobut-1-enyl)fluoren-9-one?
The canonical SMILES for 2-(4-aminobut-1-enyl)fluoren-9-one is NCCC=Cc1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of 2-(4-aminobut-1-enyl)fluoren-9-one?
The InChIKey is KSMNFJCNUVCSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c18-10-4-3-5-12-8-9-14-13-6-1-2-7-15(13)17(19)16(14)11-12/h1-3,5-9,11H,4,10,18H2.
What are the key properties of 2-(4-aminobut-1-enyl)fluoren-9-one?
2-(4-aminobut-1-enyl)fluoren-9-one has a molecular weight of 249.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobut-1-enyl)fluoren-9-one is sourced from PubChem (CID 170487895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).