tert-butyl N-prop-2-enoylcarbamate

C8H13NO3 — CID 14817908

IUPACtert-butyl N-prop-2-enoylcarbamate
SMILESC=CC(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H13NO3/c1-5-6(10)9-7(11)12-8(2,3)4/h5H,1H2,2-4H3,(H,9,10,11)
InChIKeyZLJZBJSVDATEGJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.22
Rot. Bonds1

About tert-butyl N-prop-2-enoylcarbamate

tert-butyl N-prop-2-enoylcarbamate (PubChem CID 14817908) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is tert-butyl N-prop-2-enoylcarbamate.

Molecular Properties

Compound Nametert-butyl N-prop-2-enoylcarbamate
PubChem CID14817908
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nametert-butyl N-prop-2-enoylcarbamate
SMILESC=CC(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H13NO3/c1-5-6(10)9-7(11)12-8(2,3)4/h5H,1H2,2-4H3,(H,9,10,11)
InChIKeyZLJZBJSVDATEGJ-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1E)-1-hydroxybuta-1,3-dienyl]carbamate
CID 154986813
tert-butyl N-[4-(prop-2-enoylamino)phenyl]carbamate
CID 70001681
(2-methylpropan-2-yl)oxycarbonylcarbamic acid
CID 15431621
tert-butyl N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 101164544
methyl (2Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]penta-2,4-dienoate
CID 101448567
tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate
CID 90352815
tert-butyl N-hex-5-enoylcarbamate
CID 101433045
tert-butyl prop-2-enoate
CID 158231977
tert-butyl N-ethanethioylcarbamate
CID 20745944
tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate
CID 14541319
tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044
tert-butyl prop-2-enoate;methanol
CID 174833528

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-prop-2-enoylcarbamate?
The IUPAC name of tert-butyl N-prop-2-enoylcarbamate (CID 14817908) is tert-butyl N-prop-2-enoylcarbamate.
What is the SMILES notation for tert-butyl N-prop-2-enoylcarbamate?
The canonical SMILES for tert-butyl N-prop-2-enoylcarbamate is C=CC(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-prop-2-enoylcarbamate?
The InChIKey is ZLJZBJSVDATEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5-6(10)9-7(11)12-8(2,3)4/h5H,1H2,2-4H3,(H,9,10,11).
What are the key properties of tert-butyl N-prop-2-enoylcarbamate?
tert-butyl N-prop-2-enoylcarbamate has a molecular weight of 171.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-prop-2-enoylcarbamate is sourced from PubChem (CID 14817908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).