N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide

C11H20N4O — CID 59878558

IUPACN-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide
SMILESC/N=C(\NC=O)N1CC=C(CC(C)NC)C1
InChIInChI=1S/C11H20N4O/c1-9(12-2)6-10-4-5-15(7-10)11(13-3)14-8-16/h4,8-9,12H,5-7H2,1-3H3,(H,13,14,16)
InChIKeyZRQYUBVQSCAZNR-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.04
Rot. Bonds4

About N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide

N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide (PubChem CID 59878558) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide.

Molecular Properties

Compound NameN-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide
PubChem CID59878558
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide
SMILESC/N=C(\NC=O)N1CC=C(CC(C)NC)C1
InChIInChI=1S/C11H20N4O/c1-9(12-2)6-10-4-5-15(7-10)11(13-3)14-8-16/h4,8-9,12H,5-7H2,1-3H3,(H,13,14,16)
InChIKeyZRQYUBVQSCAZNR-UHFFFAOYSA-N
XLogP-0.04
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide
CID 59878511
N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide
CID 59878537
N-[C-[3-(2-aminoethyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide
CID 59878542

Frequently Asked Questions

What is the IUPAC name of N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide?
The IUPAC name of N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide (CID 59878558) is N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide.
What is the SMILES notation for N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide?
The canonical SMILES for N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide is C/N=C(\NC=O)N1CC=C(CC(C)NC)C1.
What is the InChIKey of N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide?
The InChIKey is ZRQYUBVQSCAZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(12-2)6-10-4-5-15(7-10)11(13-3)14-8-16/h4,8-9,12H,5-7H2,1-3H3,(H,13,14,16).
What are the key properties of N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide?
N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide has a molecular weight of 224.31 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide is sourced from PubChem (CID 59878558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).