2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one

C9H13NO — CID 158792993

IUPAC2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one
SMILESCC(C)(C)C(=O)C1=CC=NC1
InChIInChI=1S/C9H13NO/c1-9(2,3)8(11)7-4-5-10-6-7/h4-5H,6H2,1-3H3
InChIKeyAEFQQSWUIRSKKQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.61
Rot. Bonds1

About 2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one

2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one (PubChem CID 158792993) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one
PubChem CID158792993
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one
SMILESCC(C)(C)C(=O)C1=CC=NC1
InChIInChI=1S/C9H13NO/c1-9(2,3)8(11)7-4-5-10-6-7/h4-5H,6H2,1-3H3
InChIKeyAEFQQSWUIRSKKQ-UHFFFAOYSA-N
XLogP1.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methyl-2H-pyrrol-3-yl)propan-1-one
CID 57789310
2,2-dimethyl-1-(2H-pyrrol-4-yl)propan-1-one
CID 59147992
4-(2,2-dimethylpropyl)-2H-pyridin-3-one
CID 59278527
1-(2,5-Dihydropyridin-3-yl)propan-1-one
CID 90977726
4-tert-butyl-2H-pyridin-3-one
CID 130466286
2-methyl-1-(2H-pyrrol-4-yl)propan-1-one
CID 134572821
(E)-6-ethylimino-2,2,4-trimethylhex-4-en-3-one
CID 145242415
1-(2,3-Dihydropyridin-3-yl)-2,2-dimethylpropan-1-one
CID 147324643
1-(5-tert-butyl-2H-pyrrol-3-yl)ethanone
CID 157362144
(E)-2,2,4-trimethyl-6-methyliminohex-4-en-3-one
CID 169845174
1-(2H-azepin-3-yl)propan-1-one
CID 175692965
2-methyl-1-(1-methyl-2H-pyrrol-1-ium-3-yl)propan-1-one
CID 157100340

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one (CID 158792993) is 2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one is CC(C)(C)C(=O)C1=CC=NC1.
What is the InChIKey of 2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one?
The InChIKey is AEFQQSWUIRSKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-9(2,3)8(11)7-4-5-10-6-7/h4-5H,6H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one?
2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one has a molecular weight of 151.21 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one is sourced from PubChem (CID 158792993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).