N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide

C11H20N2O — CID 81489802

IUPACN-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN(CC)C(=O)C1(C)CCNC1
InChIInChI=1S/C11H20N2O/c1-4-8-13(5-2)10(14)11(3)6-7-12-9-11/h4,12H,1,5-9H2,2-3H3
InChIKeyVLJPAGVOJJIHEC-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.02
Rot. Bonds4

About N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide

N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 81489802) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID81489802
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN(CC)C(=O)C1(C)CCNC1
InChIInChI=1S/C11H20N2O/c1-4-8-13(5-2)10(14)11(3)6-7-12-9-11/h4,12H,1,5-9H2,2-3H3
InChIKeyVLJPAGVOJJIHEC-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
CID 63132229
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63142548
N-ethyl-N-(2-hydroxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63143706
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140406
3-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 63142000
N-ethyl-4-methyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 63121302
N-(cyclopropylmethyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 63138956
1-(3-methylpyrrolidin-3-yl)pent-4-en-1-one
CID 116569923
N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708749
methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate
CID 63143757
N-ethyl-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 63135216
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 55164584

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide (CID 81489802) is N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCN(CC)C(=O)C1(C)CCNC1.
What is the InChIKey of N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is VLJPAGVOJJIHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-8-13(5-2)10(14)11(3)6-7-12-9-11/h4,12H,1,5-9H2,2-3H3.
What are the key properties of N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide?
N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 81489802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).