tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate

C11H21NO2 — CID 135038744

IUPACtert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate
SMILESC=C[C@H](C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-9(2)7-8-12-10(13)14-11(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13)/t9-/m0/s1
InChIKeyKIYWTZRHGGXMMN-VIFPVBQESA-N
MW199.29 g/mol
LogP2.72
Rot. Bonds4

About tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate

tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate (PubChem CID 135038744) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate
PubChem CID135038744
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate
SMILESC=C[C@H](C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-9(2)7-8-12-10(13)14-11(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13)/t9-/m0/s1
InChIKeyKIYWTZRHGGXMMN-VIFPVBQESA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl pent-4-EN-1-ylcarbamate
CID 12181732
10-N-Boc-amino-dec-1-ene
CID 2756765
Tert-butyl but-3-EN-1-ylcarbamate
CID 11263760
rac-tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate
CID 54277191
tert-butyl N-(2-methylbut-3-en-1-yl)carbamate
CID 59650911
tert-butyl N-(2-aminopent-4-en-1-yl)carbamate
CID 130041824
tert-butyl N-[[(1S,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobut-2-en-1-yl]methyl]carbamate
CID 10925007
Tert-butyl non-8-en-1-ylcarbamate
CID 5282584
ethyl N-pent-4-enylcarbamate
CID 10855731
Tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate
CID 11492449
tert-butyl N-(3-methylpent-4-en-1-yl)carbamate
CID 12181709
tert-butyl N-(2-cyclopent-2-en-1-ylethyl)carbamate
CID 12181711

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate (CID 135038744) is tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate is C=C[C@H](C)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate?
The InChIKey is KIYWTZRHGGXMMN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-9(2)7-8-12-10(13)14-11(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate?
tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate has a molecular weight of 199.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate is sourced from PubChem (CID 135038744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).