tert-butyl N-(prop-2-enylamino)carbamate

C8H16N2O2 — CID 11240753

IUPACtert-butyl N-(prop-2-enylamino)carbamate
SMILESC=CCNNC(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O2/c1-5-6-9-10-7(11)12-8(2,3)4/h5,9H,1,6H2,2-4H3,(H,10,11)
InChIKeyZWVCFOODNVEFBI-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.20
Rot. Bonds3

About tert-butyl N-(prop-2-enylamino)carbamate

tert-butyl N-(prop-2-enylamino)carbamate (PubChem CID 11240753) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is tert-butyl N-(prop-2-enylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(prop-2-enylamino)carbamate
PubChem CID11240753
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nametert-butyl N-(prop-2-enylamino)carbamate
SMILESC=CCNNC(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O2/c1-5-6-9-10-7(11)12-8(2,3)4/h5,9H,1,6H2,2-4H3,(H,10,11)
InChIKeyZWVCFOODNVEFBI-UHFFFAOYSA-N
XLogP1.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(prop-2-enylcarbamothioylamino)carbamate
CID 3582020
tert-butyl N-(2,3,3-trimethylbutylamino)carbamate
CID 130506890
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
tert-butyl N-penta-2,4-dienylcarbamate
CID 54438753
tert-butyl N-(2-methoxyethylamino)carbamate
CID 87253859
tert-butyl N-(cyclopropylmethylamino)carbamate
CID 67491579
tert-butyl N-[(2-prop-2-enoxyphenyl)methylamino]carbamate
CID 107236651
tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(prop-2-enylamino)propan-2-yl]carbamate
CID 10610298
tert-butyl N-[(2-aminooxy-2-methyl-3-oxopropyl)amino]carbamate
CID 88677131
tert-butyl N-(octylamino)carbamate
CID 107237086
tert-butyl N-[methyl(prop-2-enyl)amino]carbamate
CID 177168353
tert-butyl N-(cyclobutylmethylamino)carbamate
CID 58693863

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(prop-2-enylamino)carbamate?
The IUPAC name of tert-butyl N-(prop-2-enylamino)carbamate (CID 11240753) is tert-butyl N-(prop-2-enylamino)carbamate.
What is the SMILES notation for tert-butyl N-(prop-2-enylamino)carbamate?
The canonical SMILES for tert-butyl N-(prop-2-enylamino)carbamate is C=CCNNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(prop-2-enylamino)carbamate?
The InChIKey is ZWVCFOODNVEFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5-6-9-10-7(11)12-8(2,3)4/h5,9H,1,6H2,2-4H3,(H,10,11).
What are the key properties of tert-butyl N-(prop-2-enylamino)carbamate?
tert-butyl N-(prop-2-enylamino)carbamate has a molecular weight of 172.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(prop-2-enylamino)carbamate is sourced from PubChem (CID 11240753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).