tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate

C12H23NO2 — CID 10375927

IUPACtert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)C(C)CC
InChIInChI=1S/C12H23NO2/c1-7-9-13(10(3)8-2)11(14)15-12(4,5)6/h7,10H,1,8-9H2,2-6H3
InChIKeyWXBVFWJPBJULNQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.21
Rot. Bonds4

About tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate

tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate (PubChem CID 10375927) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
PubChem CID10375927
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)C(C)CC
InChIInChI=1S/C12H23NO2/c1-7-9-13(10(3)8-2)11(14)15-12(4,5)6/h7,10H,1,8-9H2,2-6H3
InChIKeyWXBVFWJPBJULNQ-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(4Z)-4-hydroxyiminobutan-2-yl]-N-prop-2-enylcarbamate
CID 102278228
tert-butyl N-(1-chlorobut-3-enyl)-N-prop-2-enylcarbamate
CID 156518979
2-[(2-methylpropan-2-yl)oxycarbonyl-[(2S)-pent-4-en-2-yl]amino]acetic acid
CID 134594143
tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
CID 51050847
[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]hexa-1,5-dien-3-yl] 2-methylprop-2-enoate
CID 25110944
tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate
CID 10355020
tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate
CID 46201500
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate
CID 11380287
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate
CID 10728810
8-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-8-oxooctanoic acid
CID 75305243
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate (CID 10375927) is tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)C(C)CC.
What is the InChIKey of tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate?
The InChIKey is WXBVFWJPBJULNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-7-9-13(10(3)8-2)11(14)15-12(4,5)6/h7,10H,1,8-9H2,2-6H3.
What are the key properties of tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate?
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate has a molecular weight of 213.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate is sourced from PubChem (CID 10375927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).