9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate

C19H16N2O4 — CID 134872049

IUPAC9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate
SMILES[H]/N=C1/CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O1
InChIInChI=1S/C19H16N2O4/c20-17-9-16(18(22)25-17)21-19(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16,20H,9-10H2,(H,21,23)/b20-17-
InChIKeyVELFCLBBZOXOTE-JZJYNLBNSA-N
MW336.35 g/mol
LogP2.82
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate

9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate (PubChem CID 134872049) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate
PubChem CID134872049
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate
SMILES[H]/N=C1/CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O1
InChIInChI=1S/C19H16N2O4/c20-17-9-16(18(22)25-17)21-19(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16,20H,9-10H2,(H,21,23)/b20-17-
InChIKeyVELFCLBBZOXOTE-JZJYNLBNSA-N
XLogP2.82
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[(3R)-2,5-dioxooxolan-3-yl]carbamate
CID 102482315
9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate
CID 11130659
9H-fluoren-9-ylmethyl N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate
CID 122234210
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
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopiperidin-1-yl]acetic acid
CID 4712604
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-iminopropanoic acid
CID 163894219
(2S)-2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
CID 45024429
9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate (CID 134872049) is 9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate is [H]/N=C1/CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate?
The InChIKey is VELFCLBBZOXOTE-JZJYNLBNSA-N. The full InChI is InChI=1S/C19H16N2O4/c20-17-9-16(18(22)25-17)21-19(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16,20H,9-10H2,(H,21,23)/b20-17-.
What are the key properties of 9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate?
9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate has a molecular weight of 336.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(5-imino-2-oxooxolan-3-yl)carbamate is sourced from PubChem (CID 134872049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).