methyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate

C10H16N2O3 — CID 91379866

IUPACmethyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
SMILESC=C1CCN(C(=O)C(C)NC(=O)OC)C1
InChIInChI=1S/C10H16N2O3/c1-7-4-5-12(6-7)9(13)8(2)11-10(14)15-3/h8H,1,4-6H2,2-3H3,(H,11,14)
InChIKeyDCGTZHRQWRKNIU-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.52
Rot. Bonds2

About methyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate

methyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 91379866) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
PubChem CID91379866
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
SMILESC=C1CCN(C(=O)C(C)NC(=O)OC)C1
InChIInChI=1S/C10H16N2O3/c1-7-4-5-12(6-7)9(13)8(2)11-10(14)15-3/h8H,1,4-6H2,2-3H3,(H,11,14)
InChIKeyDCGTZHRQWRKNIU-UHFFFAOYSA-N
XLogP0.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate (CID 91379866) is methyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate is C=C1CCN(C(=O)C(C)NC(=O)OC)C1.
What is the InChIKey of methyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is DCGTZHRQWRKNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7-4-5-12(6-7)9(13)8(2)11-10(14)15-3/h8H,1,4-6H2,2-3H3,(H,11,14).
What are the key properties of methyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate?
methyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 212.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(3-methylidenepyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 91379866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).