9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate

C18H17NO2 — CID 75176269

IUPAC9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO2/c1-2-11-19-18(20)21-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h2-10,17H,1,11-12H2,(H,19,20)
InChIKeyDUTZXTJPEKETHY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.71
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate

9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate (PubChem CID 75176269) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate
PubChem CID75176269
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO2/c1-2-11-19-18(20)21-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h2-10,17H,1,11-12H2,(H,19,20)
InChIKeyDUTZXTJPEKETHY-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate (CID 75176269) is 9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate is C=CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate?
The InChIKey is DUTZXTJPEKETHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-11-19-18(20)21-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h2-10,17H,1,11-12H2,(H,19,20).
What are the key properties of 9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate?
9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate has a molecular weight of 279.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-prop-2-enylcarbamate is sourced from PubChem (CID 75176269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).