4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide

C12H19N3O2 — CID 106416741

IUPAC4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide
SMILESCn1cccc1CNC(=O)C1(C)COCC1N
InChIInChI=1S/C12H19N3O2/c1-12(8-17-7-10(12)13)11(16)14-6-9-4-3-5-15(9)2/h3-5,10H,6-8,13H2,1-2H3,(H,14,16)
InChIKeyXKDXLIVNEHFFAC-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.01
Rot. Bonds3

About 4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide

4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide (PubChem CID 106416741) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide
PubChem CID106416741
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide
SMILESCn1cccc1CNC(=O)C1(C)COCC1N
InChIInChI=1S/C12H19N3O2/c1-12(8-17-7-10(12)13)11(16)14-6-9-4-3-5-15(9)2/h3-5,10H,6-8,13H2,1-2H3,(H,14,16)
InChIKeyXKDXLIVNEHFFAC-UHFFFAOYSA-N
XLogP0.01
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methyl-N-(naphthalen-1-ylmethyl)oxolane-3-carboxamide
CID 66263037
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide
CID 66248690
1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide
CID 106416698
4-amino-N-[(3-methoxyphenyl)methyl]-3-methyloxolane-3-carboxamide
CID 66250429
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide
CID 66250662
4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide
CID 66250428
1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide
CID 106416507
4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide
CID 66250197
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103950434
4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide
CID 80527386
1-methoxy-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 130718702
N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 106416786

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide (CID 106416741) is 4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide is Cn1cccc1CNC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide?
The InChIKey is XKDXLIVNEHFFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(8-17-7-10(12)13)11(16)14-6-9-4-3-5-15(9)2/h3-5,10H,6-8,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide?
4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 106416741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).