methyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate

C9H16N2O3 — CID 10442770

IUPACmethyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate
SMILESC=CCC(NC(=O)OC)C(=O)N(C)C
InChIInChI=1S/C9H16N2O3/c1-5-6-7(8(12)11(2)3)10-9(13)14-4/h5,7H,1,6H2,2-4H3,(H,10,13)
InChIKeyABZMECDHXZIQAJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.38
Rot. Bonds4

About methyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate

methyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate (PubChem CID 10442770) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate
PubChem CID10442770
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate
SMILESC=CCC(NC(=O)OC)C(=O)N(C)C
InChIInChI=1S/C9H16N2O3/c1-5-6-7(8(12)11(2)3)10-9(13)14-4/h5,7H,1,6H2,2-4H3,(H,10,13)
InChIKeyABZMECDHXZIQAJ-UHFFFAOYSA-N
XLogP0.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate
CID 10263167
tert-butyl N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopent-4-en-2-yl]carbamate
CID 134920554
methyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate
CID 10058659
tert-butyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate
CID 10105876
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxopent-4-en-2-yl]carbamate
CID 12080796
tert-Butyl 1-{[methoxy(methyl)amino]carbonyl}-3-butenylcarbamate
CID 19364639
N-methoxy-N-methyl-2-(propanoylamino)pent-4-enamide
CID 22667903
N-methyl-2-(propanoylamino)pent-4-enamide
CID 22926605
2-Acetamidopent-4-enamide
CID 23273486
tert-butyl N-[1-(methylamino)-1-oxopent-4-en-2-yl]carbamate
CID 23548897
tert-butyl N-[1-oxo-1-(propan-2-ylamino)pent-4-en-2-yl]carbamate
CID 23548904
methyl N-[(2S)-1-amino-1-oxobutan-2-yl]-N-prop-2-enylcarbamate
CID 25172830

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate?
The IUPAC name of methyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate (CID 10442770) is methyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate is C=CCC(NC(=O)OC)C(=O)N(C)C.
What is the InChIKey of methyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate?
The InChIKey is ABZMECDHXZIQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5-6-7(8(12)11(2)3)10-9(13)14-4/h5,7H,1,6H2,2-4H3,(H,10,13).
What are the key properties of methyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate?
methyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(dimethylamino)-1-oxopent-4-en-2-yl]carbamate is sourced from PubChem (CID 10442770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).