(5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine

C14H16NO2P — CID 163499108

IUPAC(5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine
SMILESCC1C=CC2=C(CC1)c1ccccc1[P@@](N)(=O)O2
InChIInChI=1S/C14H16NO2P/c1-10-6-8-11-12-4-2-3-5-14(12)18(15,16)17-13(11)9-7-10/h2-5,7,9-10H,6,8H2,1H3,(H2,15,16)/t10?,18-/m1/s1
InChIKeyCTEIXHUQADXQJZ-RXUIWSPKSA-N
MW261.26 g/mol
LogP3.19
Rot. Bonds

About (5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine

(5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine (PubChem CID 163499108) has the molecular formula C14H16NO2P and a molecular weight of 261.26 g/mol. Its IUPAC name is (5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine.

Molecular Properties

Compound Name(5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine
PubChem CID163499108
Molecular FormulaC14H16NO2P
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name(5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine
SMILESCC1C=CC2=C(CC1)c1ccccc1[P@@](N)(=O)O2
InChIInChI=1S/C14H16NO2P/c1-10-6-8-11-12-4-2-3-5-14(12)18(15,16)17-13(11)9-7-10/h2-5,7,9-10H,6,8H2,1H3,(H2,15,16)/t10?,18-/m1/s1
InChIKeyCTEIXHUQADXQJZ-RXUIWSPKSA-N
XLogP3.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 142425353
2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione
CID 146915530
1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 143793879
2-(3-methylcyclopenten-1-yl)aniline
CID 19754745
2-(2,3-dimethylcyclopenten-1-yl)aniline
CID 91477460
1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
CID 142604826
bis(2-benzofuran-1,3-dione);ethane
CID 143680396
3,6-dimethyl-3,4,5,6-tetrahydro-2,7-benzodioxecine-1,8-dione
CID 141176159
3,9-dimethyl-4,9-dihydro-3H-fluorene
CID 143889086
6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
CID 158354295
3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene
CID 123300058
5-methyl-2-phenylcyclohepta-1,3-diene
CID 143994099

Frequently Asked Questions

What is the IUPAC name of (5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine?
The IUPAC name of (5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine (CID 163499108) is (5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine.
What is the SMILES notation for (5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine?
The canonical SMILES for (5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine is CC1C=CC2=C(CC1)c1ccccc1[P@@](N)(=O)O2.
What is the InChIKey of (5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine?
The InChIKey is CTEIXHUQADXQJZ-RXUIWSPKSA-N. The full InChI is InChI=1S/C14H16NO2P/c1-10-6-8-11-12-4-2-3-5-14(12)18(15,16)17-13(11)9-7-10/h2-5,7,9-10H,6,8H2,1H3,(H2,15,16)/t10?,18-/m1/s1.
What are the key properties of (5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine?
(5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine has a molecular weight of 261.26 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine is sourced from PubChem (CID 163499108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).