(2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate

C27H18N2O4 — CID 23150327

IUPAC(2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate
SMILESNC(=O)Oc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(OC(N)=O)cc21
InChIInChI=1S/C27H18N2O4/c28-25(30)32-15-9-11-19-17-5-1-3-7-21(17)27(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(14-24(20)27)33-26(29)31/h1-14H,(H2,28,30)(H2,29,31)
InChIKeyMRMGTAZSVZQLMM-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.95
Rot. Bonds2

About (2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate

(2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate (PubChem CID 23150327) has the molecular formula C27H18N2O4 and a molecular weight of 434.45 g/mol. Its IUPAC name is (2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate.

Molecular Properties

Compound Name(2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate
PubChem CID23150327
Molecular FormulaC27H18N2O4
Molecular Weight434.45 g/mol
Exact Mass434.13
IUPAC Name(2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate
SMILESNC(=O)Oc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(OC(N)=O)cc21
InChIInChI=1S/C27H18N2O4/c28-25(30)32-15-9-11-19-17-5-1-3-7-21(17)27(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(14-24(20)27)33-26(29)31/h1-14H,(H2,28,30)(H2,29,31)
InChIKeyMRMGTAZSVZQLMM-UHFFFAOYSA-N
XLogP4.95
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate?
The IUPAC name of (2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate (CID 23150327) is (2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate.
What is the SMILES notation for (2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate?
The canonical SMILES for (2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate is NC(=O)Oc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(OC(N)=O)cc21.
What is the InChIKey of (2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate?
The InChIKey is MRMGTAZSVZQLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O4/c28-25(30)32-15-9-11-19-17-5-1-3-7-21(17)27(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(14-24(20)27)33-26(29)31/h1-14H,(H2,28,30)(H2,29,31).
What are the key properties of (2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate?
(2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate has a molecular weight of 434.45 g/mol, XLogP of 4.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'-carbamoyloxy-9,9'-spirobi[fluorene]-2-yl) carbamate is sourced from PubChem (CID 23150327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).