4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one

C20H21NO — CID 123358599

IUPAC4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one
SMILESCCCCC1CC(=O)N1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H21NO/c1-2-3-8-14-13-19(22)21(14)20-17-11-6-4-9-15(17)16-10-5-7-12-18(16)20/h4-7,9-12,14,20H,2-3,8,13H2,1H3
InChIKeyRXSFMKXSEFWTDQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.55
Rot. Bonds4

About 4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one

4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one (PubChem CID 123358599) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one.

Molecular Properties

Compound Name4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one
PubChem CID123358599
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one
SMILESCCCCC1CC(=O)N1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H21NO/c1-2-3-8-14-13-19(22)21(14)20-17-11-6-4-9-15(17)16-10-5-7-12-18(16)20/h4-7,9-12,14,20H,2-3,8,13H2,1H3
InChIKeyRXSFMKXSEFWTDQ-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 22568532
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CID 123231188
4-butyl-3,4-dihydro-2H-isoquinolin-1-one
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(3aS,11bR)-2-butyl-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione
CID 7832380
(3aS,11bS)-2-butyl-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione
CID 7832379
9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene
CID 19706049
sodium;3-butyl-3H-2-benzofuran-1-one;chloride
CID 158720726
6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
CID 165476462
4-benzyl-1-butylazetidin-2-one
CID 86190057
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CID 67689595
N-butyl-N-methyl-9H-fluoren-9-amine
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CID 70542920

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one?
The IUPAC name of 4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one (CID 123358599) is 4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one.
What is the SMILES notation for 4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one?
The canonical SMILES for 4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one is CCCCC1CC(=O)N1C1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one?
The InChIKey is RXSFMKXSEFWTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-2-3-8-14-13-19(22)21(14)20-17-11-6-4-9-15(17)16-10-5-7-12-18(16)20/h4-7,9-12,14,20H,2-3,8,13H2,1H3.
What are the key properties of 4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one?
4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one has a molecular weight of 291.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one is sourced from PubChem (CID 123358599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).