9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate

C18H17NO3 — CID 138478780

IUPAC9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate
SMILESC/C(=C\O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO3/c1-12(10-20)19-18(21)22-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-10,17,20H,11H2,1H3,(H,19,21)/b12-10+
InChIKeyLBUIJWSFKQYBRD-ZRDIBKRKSA-N
MW295.34 g/mol
LogP3.94
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate (PubChem CID 138478780) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate
PubChem CID138478780
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate
SMILESC/C(=C\O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO3/c1-12(10-20)19-18(21)22-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-10,17,20H,11H2,1H3,(H,19,21)/b12-10+
InChIKeyLBUIJWSFKQYBRD-ZRDIBKRKSA-N
XLogP3.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
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9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate
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9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
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methyl 2-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2-oxoacetate
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9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate (CID 138478780) is 9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate is C/C(=C\O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate?
The InChIKey is LBUIJWSFKQYBRD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12(10-20)19-18(21)22-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-10,17,20H,11H2,1H3,(H,19,21)/b12-10+.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate has a molecular weight of 295.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate is sourced from PubChem (CID 138478780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).