9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate

C19H19NO3 — CID 57151927

IUPAC9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CO)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H19NO3/c1-2-11-20(13-21)19(22)23-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18,21H,1,11-13H2
InChIKeyUXCAUNTWUFACLF-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.37
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate

9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate (PubChem CID 57151927) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate
PubChem CID57151927
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CO)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H19NO3/c1-2-11-20(13-21)19(22)23-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18,21H,1,11-13H2
InChIKeyUXCAUNTWUFACLF-UHFFFAOYSA-N
XLogP3.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate 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

(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]propanoic acid
CID 57345952
prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate
CID 164550281
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 173067102
9H-fluoren-9-ylmethyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]butyl]carbamate;dihydrochloride
CID 121233598
9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
CID 107483352
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid
CID 165486788
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511
(2S)-2-[but-3-enyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 101472073
9H-fluoren-9-ylmethyl N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 178135145
2-[9H-fluoren-9-ylmethoxycarbonyl(1-hydroxyethyl)amino]acetic acid
CID 22364292
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate (CID 57151927) is 9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate is C=CCN(CO)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate?
The InChIKey is UXCAUNTWUFACLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-11-20(13-21)19(22)23-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18,21H,1,11-13H2.
What are the key properties of 9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate?
9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate has a molecular weight of 309.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 57151927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).