tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate

C12H20ClNO2 — CID 102520805

IUPACtert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=C)CCl)C(=O)OC(C)(C)C
InChIInChI=1S/C12H20ClNO2/c1-6-7-14(9-10(2)8-13)11(15)16-12(3,4)5/h6H,1-2,7-9H2,3-5H3
InChIKeyDSUSTYREANKQEW-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.20
Rot. Bonds5

About tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate

tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate (PubChem CID 102520805) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate
PubChem CID102520805
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Nametert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=C)CCl)C(=O)OC(C)(C)C
InChIInChI=1S/C12H20ClNO2/c1-6-7-14(9-10(2)8-13)11(15)16-12(3,4)5/h6H,1-2,7-9H2,3-5H3
InChIKeyDSUSTYREANKQEW-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate
CID 86195236
tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine
CID 142306508
tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate
CID 101196840
tert-butyl N-[2-(4-chloro-2-pyridinyl)-2-oxoethyl]-N-prop-2-enylcarbamate
CID 118367981
dicyclohexylazanium;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate
CID 169090818
tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate
CID 86697894
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoate
CID 11265362
tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[(E)-4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propyl]amino]but-2-enyl]carbamate
CID 19956406
tert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate
CID 102112372
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
CID 736559
tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 132608817
2-[3-chloroprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 165350727

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate (CID 102520805) is tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate is C=CCN(CC(=C)CCl)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate?
The InChIKey is DSUSTYREANKQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c1-6-7-14(9-10(2)8-13)11(15)16-12(3,4)5/h6H,1-2,7-9H2,3-5H3.
What are the key properties of tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate?
tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate has a molecular weight of 245.75 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 102520805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).