1-amino-3,7-dimethylfluoren-9-one

C15H13NO — CID 15447110

IUPAC1-amino-3,7-dimethylfluoren-9-one
SMILESCc1ccc2c(c1)C(=O)c1c(N)cc(C)cc1-2
InChIInChI=1S/C15H13NO/c1-8-3-4-10-11-6-9(2)7-13(16)14(11)15(17)12(10)5-8/h3-7H,16H2,1-2H3
InChIKeyABUDNCBSLGYYDG-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.10
Rot. Bonds

About 1-amino-3,7-dimethylfluoren-9-one

1-amino-3,7-dimethylfluoren-9-one (PubChem CID 15447110) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-amino-3,7-dimethylfluoren-9-one.

Molecular Properties

Compound Name1-amino-3,7-dimethylfluoren-9-one
PubChem CID15447110
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name1-amino-3,7-dimethylfluoren-9-one
SMILESCc1ccc2c(c1)C(=O)c1c(N)cc(C)cc1-2
InChIInChI=1S/C15H13NO/c1-8-3-4-10-11-6-9(2)7-13(16)14(11)15(17)12(10)5-8/h3-7H,16H2,1-2H3
InChIKeyABUDNCBSLGYYDG-UHFFFAOYSA-N
XLogP3.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,7-dimethylphenanthrene-9,10-dione;ethane
CID 54539649
2-ethyl-1,3,7-trimethylfluoren-9-one
CID 101404814
1-amino-4-chloro-2,6-dimethylanthracene-9,10-dione
CID 70527047
2-methyl-7-sulfanylfluoren-9-one
CID 148861091
1,2,4,7-tetramethylanthracene-9,10-dione
CID 23454169
3-amino-6-methylphenanthrene-9,10-dione;ethane
CID 142278417
3-(3,7-dimethyl-1,4-dioxonaphthalen-2-yl)-2,6-dimethylnaphthalene-1,4-dione
CID 59053380
2,7-dimethyl-9-oxofluorene-4-carbonitrile
CID 58490125
1,4-dihydroxy-2,7-dimethylanthracene-9,10-dione
CID 102313508
2-amino-4,7-dimethylcyclohepta-2,4,6-trien-1-one
CID 55289737
7-methylnaphthalene-1,2,4-trione
CID 54358418
9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione
CID 56620359

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,7-dimethylfluoren-9-one?
The IUPAC name of 1-amino-3,7-dimethylfluoren-9-one (CID 15447110) is 1-amino-3,7-dimethylfluoren-9-one.
What is the SMILES notation for 1-amino-3,7-dimethylfluoren-9-one?
The canonical SMILES for 1-amino-3,7-dimethylfluoren-9-one is Cc1ccc2c(c1)C(=O)c1c(N)cc(C)cc1-2.
What is the InChIKey of 1-amino-3,7-dimethylfluoren-9-one?
The InChIKey is ABUDNCBSLGYYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-8-3-4-10-11-6-9(2)7-13(16)14(11)15(17)12(10)5-8/h3-7H,16H2,1-2H3.
What are the key properties of 1-amino-3,7-dimethylfluoren-9-one?
1-amino-3,7-dimethylfluoren-9-one has a molecular weight of 223.27 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,7-dimethylfluoren-9-one is sourced from PubChem (CID 15447110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).