[(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate

C24H19NO5 — CID 88855681

IUPAC[(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)[C@@H]2[C@H]3C=CC(C3)[C@@H]2C1=O
InChIInChI=1S/C24H19NO5/c26-22-20-13-9-10-14(11-13)21(20)23(27)25(22)30-24(28)29-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13-14,19-21H,11-12H2/t13-,14?,20+,21-/m0/s1
InChIKeyKZPNVMMDEKXBAH-PJFLJERBSA-N
MW401.42 g/mol
LogP3.67
Rot. Bonds3

About [(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate

[(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate (PubChem CID 88855681) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is [(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate.

Molecular Properties

Compound Name[(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate
PubChem CID88855681
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name[(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)[C@@H]2[C@H]3C=CC(C3)[C@@H]2C1=O
InChIInChI=1S/C24H19NO5/c26-22-20-13-9-10-14(11-13)21(20)23(27)25(22)30-24(28)29-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13-14,19-21H,11-12H2/t13-,14?,20+,21-/m0/s1
InChIKeyKZPNVMMDEKXBAH-PJFLJERBSA-N
XLogP3.67
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate
CID 126627659
2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 143777459
(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate
CID 18968177
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
(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
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799
9H-fluoren-9-ylmethyl 2-hydroxyethyl carbonate
CID 174872937
(2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethoxycarbonyl carbonate
CID 54522503
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate?
The IUPAC name of [(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate (CID 88855681) is [(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate.
What is the SMILES notation for [(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate?
The canonical SMILES for [(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate is O=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)[C@@H]2[C@H]3C=CC(C3)[C@@H]2C1=O.
What is the InChIKey of [(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate?
The InChIKey is KZPNVMMDEKXBAH-PJFLJERBSA-N. The full InChI is InChI=1S/C24H19NO5/c26-22-20-13-9-10-14(11-13)21(20)23(27)25(22)30-24(28)29-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13-14,19-21H,11-12H2/t13-,14?,20+,21-/m0/s1.
What are the key properties of [(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate?
[(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate has a molecular weight of 401.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] 9H-fluoren-9-ylmethyl carbonate is sourced from PubChem (CID 88855681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).