4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide

C9H17N3O — CID 129059850

IUPAC4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide
SMILESCCCNC(=O)C1CC(N)=CN1C
InChIInChI=1S/C9H17N3O/c1-3-4-11-9(13)8-5-7(10)6-12(8)2/h6,8H,3-5,10H2,1-2H3,(H,11,13)
InChIKeyLIFCCBGJIUFSRM-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.02
Rot. Bonds3

About 4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide

4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide (PubChem CID 129059850) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide
PubChem CID129059850
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide
SMILESCCCNC(=O)C1CC(N)=CN1C
InChIInChI=1S/C9H17N3O/c1-3-4-11-9(13)8-5-7(10)6-12(8)2/h6,8H,3-5,10H2,1-2H3,(H,11,13)
InChIKeyLIFCCBGJIUFSRM-UHFFFAOYSA-N
XLogP0.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide (CID 129059850) is 4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide is CCCNC(=O)C1CC(N)=CN1C.
What is the InChIKey of 4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide?
The InChIKey is LIFCCBGJIUFSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-4-11-9(13)8-5-7(10)6-12(8)2/h6,8H,3-5,10H2,1-2H3,(H,11,13).
What are the key properties of 4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide?
4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-propyl-2,3-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 129059850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).