methyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate

C9H16N2O3 — CID 113052303

IUPACmethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate
SMILESC=CCN(CCNC(=O)OC)C(C)=O
InChIInChI=1S/C9H16N2O3/c1-4-6-11(8(2)12)7-5-10-9(13)14-3/h4H,1,5-7H2,2-3H3,(H,10,13)
InChIKeyIXQGZGPZIOSBDA-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.38
Rot. Bonds5

About methyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate

methyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate (PubChem CID 113052303) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate
PubChem CID113052303
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate
SMILESC=CCN(CCNC(=O)OC)C(C)=O
InChIInChI=1S/C9H16N2O3/c1-4-6-11(8(2)12)7-5-10-9(13)14-3/h4H,1,5-7H2,2-3H3,(H,10,13)
InChIKeyIXQGZGPZIOSBDA-UHFFFAOYSA-N
XLogP0.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

CID 11715473
CID 11715473
CID 45091938
CID 45091938
CID 58837113
CID 58837113
CID 58837126
CID 58837126
CID 70322059
CID 70322059
CID 85781580
CID 85781580
CID 86672796
CID 86672796
CID 87806651
CID 87806651
CID 88109916
CID 88109916
CID 90117490
CID 90117490
CID 118435659
CID 118435659
CID 118460798
CID 118460798

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate (CID 113052303) is methyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate is C=CCN(CCNC(=O)OC)C(C)=O.
What is the InChIKey of methyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate?
The InChIKey is IXQGZGPZIOSBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-6-11(8(2)12)7-5-10-9(13)14-3/h4H,1,5-7H2,2-3H3,(H,10,13).
What are the key properties of methyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate?
methyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[acetyl(prop-2-enyl)amino]ethyl]carbamate is sourced from PubChem (CID 113052303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).