prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate

C9H14N2O2 — CID 54167556

IUPACprop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate
SMILESC=CCOC(=O)N=C1CCCN1C
InChIInChI=1S/C9H14N2O2/c1-3-7-13-9(12)10-8-5-4-6-11(8)2/h3H,1,4-7H2,2H3
InChIKeyIMVYUUFWUCUQIZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.43
Rot. Bonds2

About prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate

prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate (PubChem CID 54167556) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate
PubChem CID54167556
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameprop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate
SMILESC=CCOC(=O)N=C1CCCN1C
InChIInChI=1S/C9H14N2O2/c1-3-7-13-9(12)10-8-5-4-6-11(8)2/h3H,1,4-7H2,2H3
InChIKeyIMVYUUFWUCUQIZ-UHFFFAOYSA-N
XLogP1.43
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate?
The IUPAC name of prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate (CID 54167556) is prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate.
What is the SMILES notation for prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate?
The canonical SMILES for prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate is C=CCOC(=O)N=C1CCCN1C.
What is the InChIKey of prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate?
The InChIKey is IMVYUUFWUCUQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7-13-9(12)10-8-5-4-6-11(8)2/h3H,1,4-7H2,2H3.
What are the key properties of prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate?
prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate has a molecular weight of 182.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(1-methylpyrrolidin-2-ylidene)carbamate is sourced from PubChem (CID 54167556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).