1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one

C8H12N2O — CID 131275798

IUPAC1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C8H12N2O/c1-5(2)8(11)7-3-6(9)4-10-7/h3-5,10H,9H2,1-2H3
InChIKeyXUHSHFWKPXDSEC-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.44
Rot. Bonds2

About 1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one

1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one (PubChem CID 131275798) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one
PubChem CID131275798
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C8H12N2O/c1-5(2)8(11)7-3-6(9)4-10-7/h3-5,10H,9H2,1-2H3
InChIKeyXUHSHFWKPXDSEC-UHFFFAOYSA-N
XLogP1.44
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one (CID 131275798) is 1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one?
The InChIKey is XUHSHFWKPXDSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5(2)8(11)7-3-6(9)4-10-7/h3-5,10H,9H2,1-2H3.
What are the key properties of 1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one?
1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one has a molecular weight of 152.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 131275798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).