tert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate

C10H19NO2 — CID 142791223

IUPACtert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate
SMILESCC/C=C\N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-7-8-11(5)9(12)13-10(2,3)4/h7-8H,6H2,1-5H3/b8-7-
InChIKeyDLMBBWIAABCMSR-FPLPWBNLSA-N
MW185.27 g/mol
LogP2.78
Rot. Bonds2

About tert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate

tert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate (PubChem CID 142791223) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate
PubChem CID142791223
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate
SMILESCC/C=C\N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-7-8-11(5)9(12)13-10(2,3)4/h7-8H,6H2,1-5H3/b8-7-
InChIKeyDLMBBWIAABCMSR-FPLPWBNLSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate (CID 142791223) is tert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate is CC/C=C\N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate?
The InChIKey is DLMBBWIAABCMSR-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-7-8-11(5)9(12)13-10(2,3)4/h7-8H,6H2,1-5H3/b8-7-.
What are the key properties of tert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate?
tert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate has a molecular weight of 185.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-but-1-enyl]-N-methylcarbamate is sourced from PubChem (CID 142791223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).