9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate

C20H17NO3 — CID 89011784

IUPAC9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate
SMILESC#CC[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H17NO3/c1-2-7-14(12-22)21-20(23)24-13-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h1,3-6,8-12,14,19H,7,13H2,(H,21,23)/t14-/m1/s1
InChIKeyZKQSYEARMIHOQZ-CQSZACIVSA-N
MW319.36 g/mol
LogP3.12
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate (PubChem CID 89011784) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate
PubChem CID89011784
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate
SMILESC#CC[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H17NO3/c1-2-7-14(12-22)21-20(23)24-13-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h1,3-6,8-12,14,19H,7,13H2,(H,21,23)/t14-/m1/s1
InChIKeyZKQSYEARMIHOQZ-CQSZACIVSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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9H-fluoren-9-ylmethyl N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 71311549
tert-butyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-ynoate
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tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
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9H-fluoren-9-ylmethyl N-(1-oxo-3-tritylsulfanylpropan-2-yl)carbamate
CID 75982876
9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate
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9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate
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9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate
CID 123810740
9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate
CID 172641441
9H-fluoren-9-ylmethyl N-[(2S)-4-oxo-1-phenylbut-3-en-2-yl]carbamate
CID 134874362
(2S,7S)-2,7-bis(9H-fluoren-9-ylmethoxycarbonylamino)oct-4-enedioic acid
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate (CID 89011784) is 9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate is C#CC[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate?
The InChIKey is ZKQSYEARMIHOQZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H17NO3/c1-2-7-14(12-22)21-20(23)24-13-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h1,3-6,8-12,14,19H,7,13H2,(H,21,23)/t14-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2R)-1-oxopent-4-yn-2-yl]carbamate has a molecular weight of 319.36 g/mol, XLogP of 3.12, 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-[(2R)-1-oxopent-4-yn-2-yl]carbamate is sourced from PubChem (CID 89011784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).