tert-butyl N-(2-oxohex-5-enyl)carbamate

C11H19NO3 — CID 178201050

IUPACtert-butyl N-(2-oxohex-5-enyl)carbamate
SMILESC=CCCC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-5-6-7-9(13)8-12-10(14)15-11(2,3)4/h5H,1,6-8H2,2-4H3,(H,12,14)
InChIKeyKITPJNXQBIAZLC-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.05
Rot. Bonds5

About tert-butyl N-(2-oxohex-5-enyl)carbamate

tert-butyl N-(2-oxohex-5-enyl)carbamate (PubChem CID 178201050) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-(2-oxohex-5-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxohex-5-enyl)carbamate
PubChem CID178201050
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-(2-oxohex-5-enyl)carbamate
SMILESC=CCCC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-5-6-7-9(13)8-12-10(14)15-11(2,3)4/h5H,1,6-8H2,2-4H3,(H,12,14)
InChIKeyKITPJNXQBIAZLC-UHFFFAOYSA-N
XLogP2.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-(2-oxohex-5-enyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(3-bromo-2-oxopropyl)carbamate
CID 53439192
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
CID 130277620
tert-butyl N-hex-5-enoylcarbamate
CID 101433045
tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene
CID 144701048
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate
CID 21353677
5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid
CID 160877136
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171
tert-butyl N-[1-fluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexan-2-yl]carbamate
CID 88692273
prop-2-enyl N-[12-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-12-oxododecyl]carbamate
CID 11634440
tert-butyl N-[2-(chloromethyl)-3-fluoroprop-2-enyl]carbamate
CID 153388228
tert-butyl 2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetate
CID 11097680
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxohex-5-enyl)carbamate?
The IUPAC name of tert-butyl N-(2-oxohex-5-enyl)carbamate (CID 178201050) is tert-butyl N-(2-oxohex-5-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxohex-5-enyl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxohex-5-enyl)carbamate is C=CCCC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-oxohex-5-enyl)carbamate?
The InChIKey is KITPJNXQBIAZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-6-7-9(13)8-12-10(14)15-11(2,3)4/h5H,1,6-8H2,2-4H3,(H,12,14).
What are the key properties of tert-butyl N-(2-oxohex-5-enyl)carbamate?
tert-butyl N-(2-oxohex-5-enyl)carbamate has a molecular weight of 213.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxohex-5-enyl)carbamate is sourced from PubChem (CID 178201050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).