acetic acid;azane;9H-fluorene

C15H17NO2 — CID 174966259

IUPACacetic acid;azane;9H-fluorene
SMILESCC(=O)O.N.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C2H4O2.H3N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2(3)4;/h1-8H,9H2;1H3,(H,3,4);1H3
InChIKeyPNYZWCPAZLCPMH-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.51
Rot. Bonds

About acetic acid;azane;9H-fluorene

acetic acid;azane;9H-fluorene (PubChem CID 174966259) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is acetic acid;azane;9H-fluorene.

Molecular Properties

Compound Nameacetic acid;azane;9H-fluorene
PubChem CID174966259
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Nameacetic acid;azane;9H-fluorene
SMILESCC(=O)O.N.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C2H4O2.H3N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2(3)4;/h1-8H,9H2;1H3,(H,3,4);1H3
InChIKeyPNYZWCPAZLCPMH-UHFFFAOYSA-N
XLogP3.51
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluorene;propanoic acid
CID 67831567
9H-fluorene;methyl acetate
CID 143080534
azane;hexakis(9H-fluorene)
CID 158472914
ethane;9H-fluorene;propanoic acid
CID 90836645
azane;9H-fluorene;hydrobromide
CID 174352852
bis(9H-fluorene);bis(prop-2-enoic acid)
CID 175756220
9H-fluorene;bis(prop-2-enoic acid)
CID 159231151
9H-fluorene;oxozirconium
CID 174355249
9H-fluorene;oxophosphane
CID 174601741
9H-fluorene;methanesulfonic acid
CID 172770963
chromium;9H-fluorene
CID 161167703
cadmium;9H-fluorene
CID 175337736

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;9H-fluorene?
The IUPAC name of acetic acid;azane;9H-fluorene (CID 174966259) is acetic acid;azane;9H-fluorene.
What is the SMILES notation for acetic acid;azane;9H-fluorene?
The canonical SMILES for acetic acid;azane;9H-fluorene is CC(=O)O.N.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of acetic acid;azane;9H-fluorene?
The InChIKey is PNYZWCPAZLCPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C2H4O2.H3N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2(3)4;/h1-8H,9H2;1H3,(H,3,4);1H3.
What are the key properties of acetic acid;azane;9H-fluorene?
acetic acid;azane;9H-fluorene has a molecular weight of 243.31 g/mol, XLogP of 3.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;9H-fluorene is sourced from PubChem (CID 174966259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).