9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate

C18H15NO4 — CID 11130659

IUPAC9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate
SMILESO=C(N[C@H]1COC1=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H15NO4/c20-17-16(10-22-17)19-18(21)23-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,19,21)/t16-/m0/s1
InChIKeyHDSGZQXQTJYDIZ-INIZCTEOSA-N
MW309.32 g/mol
LogP2.45
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate

9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate (PubChem CID 11130659) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate
PubChem CID11130659
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate
SMILESO=C(N[C@H]1COC1=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H15NO4/c20-17-16(10-22-17)19-18(21)23-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,19,21)/t16-/m0/s1
InChIKeyHDSGZQXQTJYDIZ-INIZCTEOSA-N
XLogP2.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate
CID 134872049
9H-fluoren-9-ylmethyl N-(oxolan-3-yl)carbamate
CID 166803824
9H-fluoren-9-ylmethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130689635
9H-fluoren-9-ylmethyl N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate
CID 122234210
9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
(1R,2R,3S,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124935093
(1S,2S,3R,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;(1R,2R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 127239798
9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate
CID 57457757
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate (CID 11130659) is 9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate is O=C(N[C@H]1COC1=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate?
The InChIKey is HDSGZQXQTJYDIZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15NO4/c20-17-16(10-22-17)19-18(21)23-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,19,21)/t16-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate has a molecular weight of 309.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate is sourced from PubChem (CID 11130659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).