9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate

C24H19NO3 — CID 89199392

IUPAC9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate
SMILESO=C/C(=C/c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19NO3/c26-15-18(14-17-8-2-1-3-9-17)25-24(27)28-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-15,23H,16H2,(H,25,27)/b18-14-
InChIKeyYVZVPGFXINXQAB-JXAWBTAJSA-N
MW369.42 g/mol
LogP4.77
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate (PubChem CID 89199392) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate
PubChem CID89199392
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate
SMILESO=C/C(=C/c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19NO3/c26-15-18(14-17-8-2-1-3-9-17)25-24(27)28-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-15,23H,16H2,(H,25,27)/b18-14-
InChIKeyYVZVPGFXINXQAB-JXAWBTAJSA-N
XLogP4.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate
CID 138478780
(E)-3-[4-(4-acetamidophenyl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)prop-2-enoic acid
CID 169217774
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid
CID 58223908
9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate
CID 91551203
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 7146280
(2S)-4-(15N)azanyl-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-4-oxobutanoic acid
CID 71308913
(2S)-2-[[(E)-3-(9H-fluoren-9-ylmethoxy)-3-oxo-1-phenylprop-1-en-2-yl]amino]propanoic acid
CID 71306974

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate (CID 89199392) is 9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate is O=C/C(=C/c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate?
The InChIKey is YVZVPGFXINXQAB-JXAWBTAJSA-N. The full InChI is InChI=1S/C24H19NO3/c26-15-18(14-17-8-2-1-3-9-17)25-24(27)28-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-15,23H,16H2,(H,25,27)/b18-14-.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate has a molecular weight of 369.42 g/mol, XLogP of 4.77, 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-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate is sourced from PubChem (CID 89199392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).