[(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate

C10H15NO4 — CID 143198368

IUPAC[(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate
SMILESC/C=C1/OCO/C1=C(/C)CCOC(N)=O
InChIInChI=1S/C10H15NO4/c1-3-8-9(15-6-14-8)7(2)4-5-13-10(11)12/h3H,4-6H2,1-2H3,(H2,11,12)/b8-3+,9-7-
InChIKeyKSNOABWISKPVLP-WRBXUDGVSA-N
MW213.23 g/mol
LogP1.65
Rot. Bonds3

About [(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate

[(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate (PubChem CID 143198368) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is [(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate.

Molecular Properties

Compound Name[(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate
PubChem CID143198368
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name[(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate
SMILESC/C=C1/OCO/C1=C(/C)CCOC(N)=O
InChIInChI=1S/C10H15NO4/c1-3-8-9(15-6-14-8)7(2)4-5-13-10(11)12/h3H,4-6H2,1-2H3,(H2,11,12)/b8-3+,9-7-
InChIKeyKSNOABWISKPVLP-WRBXUDGVSA-N
XLogP1.65
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate?
The IUPAC name of [(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate (CID 143198368) is [(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate.
What is the SMILES notation for [(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate?
The canonical SMILES for [(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate is C/C=C1/OCO/C1=C(/C)CCOC(N)=O.
What is the InChIKey of [(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate?
The InChIKey is KSNOABWISKPVLP-WRBXUDGVSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-8-9(15-6-14-8)7(2)4-5-13-10(11)12/h3H,4-6H2,1-2H3,(H2,11,12)/b8-3+,9-7-.
What are the key properties of [(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate?
[(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate has a molecular weight of 213.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-[(5E)-5-ethylidene-1,3-dioxolan-4-ylidene]butyl] carbamate is sourced from PubChem (CID 143198368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).