[(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate

C9H13NO5 — CID 142318564

IUPAC[(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate
SMILESCC1(C)OC(=O)O/C1=C\CCOC(N)=O
InChIInChI=1S/C9H13NO5/c1-9(2)6(14-8(12)15-9)4-3-5-13-7(10)11/h4H,3,5H2,1-2H3,(H2,10,11)/b6-4-
InChIKeyKRFVVLDMOSARPX-XQRVVYSFSA-N
MW215.20 g/mol
LogP1.30
Rot. Bonds3

About [(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate

[(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate (PubChem CID 142318564) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is [(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate.

Molecular Properties

Compound Name[(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate
PubChem CID142318564
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name[(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate
SMILESCC1(C)OC(=O)O/C1=C\CCOC(N)=O
InChIInChI=1S/C9H13NO5/c1-9(2)6(14-8(12)15-9)4-3-5-13-7(10)11/h4H,3,5H2,1-2H3,(H2,10,11)/b6-4-
InChIKeyKRFVVLDMOSARPX-XQRVVYSFSA-N
XLogP1.30
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate?
The IUPAC name of [(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate (CID 142318564) is [(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate.
What is the SMILES notation for [(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate?
The canonical SMILES for [(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate is CC1(C)OC(=O)O/C1=C\CCOC(N)=O.
What is the InChIKey of [(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate?
The InChIKey is KRFVVLDMOSARPX-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H13NO5/c1-9(2)6(14-8(12)15-9)4-3-5-13-7(10)11/h4H,3,5H2,1-2H3,(H2,10,11)/b6-4-.
What are the key properties of [(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate?
[(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate has a molecular weight of 215.20 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-(5,5-dimethyl-2-oxo-1,3-dioxolan-4-ylidene)propyl] carbamate is sourced from PubChem (CID 142318564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).