2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one

C17H17NO3 — CID 171858964

IUPAC2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one
SMILESCNCC(O)C(O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C17H17NO3/c1-18-9-15(19)16(20)10-6-7-12-11-4-2-3-5-13(11)17(21)14(12)8-10/h2-8,15-16,18-20H,9H2,1H3
InChIKeyNUJOIIBVELSUAN-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.51
Rot. Bonds4

About 2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one

2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one (PubChem CID 171858964) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one.

Molecular Properties

Compound Name2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one
PubChem CID171858964
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one
SMILESCNCC(O)C(O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C17H17NO3/c1-18-9-15(19)16(20)10-6-7-12-11-4-2-3-5-13(11)17(21)14(12)8-10/h2-8,15-16,18-20H,9H2,1H3
InChIKeyNUJOIIBVELSUAN-UHFFFAOYSA-N
XLogP1.51
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate
CID 170833141
2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one
CID 171893035
5-[1,2-dihydroxy-3-(methylamino)propyl]-2,3-dihydroinden-1-one
CID 171858141
5-[1,2-dihydroxy-3-(methylamino)propyl]-2,3-dihydroisoindol-1-one
CID 171858178
1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol
CID 171859200
3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol
CID 171857694
1-[3-(difluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171857797
S-[4-(9,10-dioxophenanthren-3-yl)-3,4-dihydroxybutyl] ethanethioate
CID 171876930
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171859130
N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide
CID 171858433
3-(methylamino)-1-(4-sulfanylphenyl)propane-1,2-diol
CID 171857392

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one?
The IUPAC name of 2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one (CID 171858964) is 2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one.
What is the SMILES notation for 2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one?
The canonical SMILES for 2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one is CNCC(O)C(O)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of 2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one?
The InChIKey is NUJOIIBVELSUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18-9-15(19)16(20)10-6-7-12-11-4-2-3-5-13(11)17(21)14(12)8-10/h2-8,15-16,18-20H,9H2,1H3.
What are the key properties of 2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one?
2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one has a molecular weight of 283.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one is sourced from PubChem (CID 171858964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).