(4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

C14H24N4O — CID 81459512

IUPAC(4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCCn1cc(N)cc1C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H24N4O/c1-5-17-8-11(15)6-12(17)14(19)18-7-10(2)13(9-18)16(3)4/h6,8,10,13H,5,7,9,15H2,1-4H3
InChIKeyWCRXJVWBPZZTTI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.11
Rot. Bonds3

About (4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

(4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 81459512) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
PubChem CID81459512
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCCn1cc(N)cc1C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H24N4O/c1-5-17-8-11(15)6-12(17)14(19)18-7-10(2)13(9-18)16(3)4/h6,8,10,13H,5,7,9,15H2,1-4H3
InChIKeyWCRXJVWBPZZTTI-UHFFFAOYSA-N
XLogP1.11
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (CID 81459512) is (4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is CCn1cc(N)cc1C(=O)N1CC(C)C(N(C)C)C1.
What is the InChIKey of (4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is WCRXJVWBPZZTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-17-8-11(15)6-12(17)14(19)18-7-10(2)13(9-18)16(3)4/h6,8,10,13H,5,7,9,15H2,1-4H3.
What are the key properties of (4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
(4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 264.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 81459512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).