4-(azepane-1-carbonyl)fluoren-9-one

C20H19NO2 — CID 725971

IUPAC4-(azepane-1-carbonyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2c1cccc2C(=O)N1CCCCCC1
InChIInChI=1S/C20H19NO2/c22-19-15-9-4-3-8-14(15)18-16(19)10-7-11-17(18)20(23)21-12-5-1-2-6-13-21/h3-4,7-11H,1-2,5-6,12-13H2
InChIKeyGPZNTLRINDSBPA-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.91
Rot. Bonds1

About 4-(azepane-1-carbonyl)fluoren-9-one

4-(azepane-1-carbonyl)fluoren-9-one (PubChem CID 725971) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)fluoren-9-one.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)fluoren-9-one
PubChem CID725971
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name4-(azepane-1-carbonyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2c1cccc2C(=O)N1CCCCCC1
InChIInChI=1S/C20H19NO2/c22-19-15-9-4-3-8-14(15)18-16(19)10-7-11-17(18)20(23)21-12-5-1-2-6-13-21/h3-4,7-11H,1-2,5-6,12-13H2
InChIKeyGPZNTLRINDSBPA-UHFFFAOYSA-N
XLogP3.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)fluoren-9-one?
The IUPAC name of 4-(azepane-1-carbonyl)fluoren-9-one (CID 725971) is 4-(azepane-1-carbonyl)fluoren-9-one.
What is the SMILES notation for 4-(azepane-1-carbonyl)fluoren-9-one?
The canonical SMILES for 4-(azepane-1-carbonyl)fluoren-9-one is O=C1c2ccccc2-c2c1cccc2C(=O)N1CCCCCC1.
What is the InChIKey of 4-(azepane-1-carbonyl)fluoren-9-one?
The InChIKey is GPZNTLRINDSBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-19-15-9-4-3-8-14(15)18-16(19)10-7-11-17(18)20(23)21-12-5-1-2-6-13-21/h3-4,7-11H,1-2,5-6,12-13H2.
What are the key properties of 4-(azepane-1-carbonyl)fluoren-9-one?
4-(azepane-1-carbonyl)fluoren-9-one has a molecular weight of 305.38 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)fluoren-9-one is sourced from PubChem (CID 725971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).