3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide

C12H20N2O2 — CID 121197691

IUPAC3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide
SMILESC=CCNC(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C12H20N2O2/c1-2-6-13-12(15)14-7-5-11(8-14)16-9-10-3-4-10/h2,10-11H,1,3-9H2,(H,13,15)
InChIKeyFFFPIONDJNPSQB-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.38
Rot. Bonds5

About 3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide

3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide (PubChem CID 121197691) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide
PubChem CID121197691
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide
SMILESC=CCNC(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C12H20N2O2/c1-2-6-13-12(15)14-7-5-11(8-14)16-9-10-3-4-10/h2,10-11H,1,3-9H2,(H,13,15)
InChIKeyFFFPIONDJNPSQB-UHFFFAOYSA-N
XLogP1.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide (CID 121197691) is 3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide is C=CCNC(=O)N1CCC(OCC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide?
The InChIKey is FFFPIONDJNPSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-6-13-12(15)14-7-5-11(8-14)16-9-10-3-4-10/h2,10-11H,1,3-9H2,(H,13,15).
What are the key properties of 3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide?
3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide is sourced from PubChem (CID 121197691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).