tert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate

C11H21NO2 — CID 54671306

IUPACtert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate
SMILESC=CC[C@H](C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-7-8-9(2)12(6)10(13)14-11(3,4)5/h7,9H,1,8H2,2-6H3/t9-/m0/s1
InChIKeyMGFRWLSGAABYES-VIFPVBQESA-N
MW199.29 g/mol
LogP2.82
Rot. Bonds3

About tert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate

tert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate (PubChem CID 54671306) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate
PubChem CID54671306
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate
SMILESC=CC[C@H](C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-7-8-9(2)12(6)10(13)14-11(3,4)5/h7,9H,1,8H2,2-6H3/t9-/m0/s1
InChIKeyMGFRWLSGAABYES-VIFPVBQESA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate (CID 54671306) is tert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate is C=CC[C@H](C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate?
The InChIKey is MGFRWLSGAABYES-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO2/c1-7-8-9(2)12(6)10(13)14-11(3,4)5/h7,9H,1,8H2,2-6H3/t9-/m0/s1.
What are the key properties of tert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate?
tert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate has a molecular weight of 199.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(2S)-pent-4-en-2-yl]carbamate is sourced from PubChem (CID 54671306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).