2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone

C12H20N2O — CID 43219598

IUPAC2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone
SMILESCCCN(CCC)CC(=O)c1ccc[nH]1
InChIInChI=1S/C12H20N2O/c1-3-8-14(9-4-2)10-12(15)11-6-5-7-13-11/h5-7,13H,3-4,8-10H2,1-2H3
InChIKeySUGPQHCSAFFSFD-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.32
Rot. Bonds7

About 2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone

2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 43219598) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone
PubChem CID43219598
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone
SMILESCCCN(CCC)CC(=O)c1ccc[nH]1
InChIInChI=1S/C12H20N2O/c1-3-8-14(9-4-2)10-12(15)11-6-5-7-13-11/h5-7,13H,3-4,8-10H2,1-2H3
InChIKeySUGPQHCSAFFSFD-UHFFFAOYSA-N
XLogP2.32
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone (CID 43219598) is 2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone is CCCN(CCC)CC(=O)c1ccc[nH]1.
What is the InChIKey of 2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is SUGPQHCSAFFSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-8-14(9-4-2)10-12(15)11-6-5-7-13-11/h5-7,13H,3-4,8-10H2,1-2H3.
What are the key properties of 2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone?
2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 208.31 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 43219598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).