9H-fluoren-9-yl N-amino-N-methylcarbamate

C15H14N2O2 — CID 100991208

IUPAC9H-fluoren-9-yl N-amino-N-methylcarbamate
SMILESCN(N)C(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H14N2O2/c1-17(16)15(18)19-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9,14H,16H2,1H3
InChIKeyDLDVQESIBQFNOQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.70
Rot. Bonds1

About 9H-fluoren-9-yl N-amino-N-methylcarbamate

9H-fluoren-9-yl N-amino-N-methylcarbamate (PubChem CID 100991208) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-amino-N-methylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-yl N-amino-N-methylcarbamate
PubChem CID100991208
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name9H-fluoren-9-yl N-amino-N-methylcarbamate
SMILESCN(N)C(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H14N2O2/c1-17(16)15(18)19-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9,14H,16H2,1H3
InChIKeyDLDVQESIBQFNOQ-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
9H-fluoren-9-yl N-methyl-N-[2-(methylamino)ethyl]carbamate;hydrochloride
CID 172594673
9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride
CID 175195517
9H-fluoren-9-yl N-[2-amino-2-(4-hydroxyphenyl)ethyl]-N-methylcarbamate;hydrochloride
CID 146663768
9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926526
9H-fluoren-9-yl propyl carbonate
CID 175604366
9H-fluoren-9-yl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 168875179
9H-fluoren-9-yl 2,2-dimethylbutanoate
CID 58031020
9H-fluoren-9-yl furan-2-carboxylate
CID 7814199
9H-fluoren-9-yl 4-amino-3-methylbenzoate
CID 91682868
9H-fluoren-9-yl N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)carbamate;hydrochloride
CID 168899418
9H-fluoren-9-yl N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N-methylcarbamate
CID 162512109

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-amino-N-methylcarbamate?
The IUPAC name of 9H-fluoren-9-yl N-amino-N-methylcarbamate (CID 100991208) is 9H-fluoren-9-yl N-amino-N-methylcarbamate.
What is the SMILES notation for 9H-fluoren-9-yl N-amino-N-methylcarbamate?
The canonical SMILES for 9H-fluoren-9-yl N-amino-N-methylcarbamate is CN(N)C(=O)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl N-amino-N-methylcarbamate?
The InChIKey is DLDVQESIBQFNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-17(16)15(18)19-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9,14H,16H2,1H3.
What are the key properties of 9H-fluoren-9-yl N-amino-N-methylcarbamate?
9H-fluoren-9-yl N-amino-N-methylcarbamate has a molecular weight of 254.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl N-amino-N-methylcarbamate is sourced from PubChem (CID 100991208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).