1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone

C8H12N2O2 — CID 142228577

IUPAC1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone
SMILESCONc1cc(C(C)=O)n(C)c1
InChIInChI=1S/C8H12N2O2/c1-6(11)8-4-7(9-12-3)5-10(8)2/h4-5,9H,1-3H3
InChIKeyNETIHFNGDHQRRX-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.20
Rot. Bonds3

About 1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone

1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone (PubChem CID 142228577) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone
PubChem CID142228577
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone
SMILESCONc1cc(C(C)=O)n(C)c1
InChIInChI=1S/C8H12N2O2/c1-6(11)8-4-7(9-12-3)5-10(8)2/h4-5,9H,1-3H3
InChIKeyNETIHFNGDHQRRX-UHFFFAOYSA-N
XLogP1.20
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide
CID 23394637
1-[4-[1-(disulfanyl)propan-2-ylamino]-1-methylpyrrol-2-yl]ethanone
CID 166738655
4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 134450659
1-(4-ethyl-1-methylpyrrol-2-yl)ethanone
CID 58122822
4-acetamido-1-methyl-N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 162488190
CID 20820655
CID 20820655
methyl 4-[[4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 147658735
methyl 1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate
CID 69410524
4-[(3-chloro-3-oxoprop-1-en-2-yl)amino]-1-methylpyrrole-2-carbonyl chloride
CID 140996449
methyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate
CID 171802130
methyl 1-methyl-4-[(2,4,6-trifluorobenzoyl)amino]pyrrole-2-carboxylate
CID 75376809
4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
CID 71195870

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone?
The IUPAC name of 1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone (CID 142228577) is 1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone?
The canonical SMILES for 1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone is CONc1cc(C(C)=O)n(C)c1.
What is the InChIKey of 1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone?
The InChIKey is NETIHFNGDHQRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(11)8-4-7(9-12-3)5-10(8)2/h4-5,9H,1-3H3.
What are the key properties of 1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone?
1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone has a molecular weight of 168.20 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone is sourced from PubChem (CID 142228577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).