1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide

C12H18N2O2 — CID 115699871

IUPAC1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1cccn1C
InChIInChI=1S/C12H18N2O2/c1-10(2)9-16-8-6-13-12(15)11-5-4-7-14(11)3/h4-5,7H,1,6,8-9H2,2-3H3,(H,13,15)
InChIKeyNHBOSLOJIUSYOQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.35
Rot. Bonds6

About 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide

1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide (PubChem CID 115699871) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide
PubChem CID115699871
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1cccn1C
InChIInChI=1S/C12H18N2O2/c1-10(2)9-16-8-6-13-12(15)11-5-4-7-14(11)3/h4-5,7H,1,6,8-9H2,2-3H3,(H,13,15)
InChIKeyNHBOSLOJIUSYOQ-UHFFFAOYSA-N
XLogP1.35
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
2-[2-[(1-propylpyrrole-2-carbonyl)amino]ethoxy]acetic acid
CID 79456778
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide
CID 115700182
1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
CID 141062303
3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide
CID 107519429
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 103769451
4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699892
N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide
CID 115769401
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 115700228
N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 115699825
N-(2-amino-2-oxoethoxy)-1-methylpyrrole-2-carboxamide
CID 112550883

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide (CID 115699871) is 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide is C=C(C)COCCNC(=O)c1cccn1C.
What is the InChIKey of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide?
The InChIKey is NHBOSLOJIUSYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(2)9-16-8-6-13-12(15)11-5-4-7-14(11)3/h4-5,7H,1,6,8-9H2,2-3H3,(H,13,15).
What are the key properties of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide?
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 115699871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).