5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide

C9H17N5O — CID 515636

IUPAC5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide
SMILES[H]/N=C(\N)CCNC(=O)C1N=C(N)CC1C
InChIInChI=1S/C9H17N5O/c1-5-4-7(12)14-8(5)9(15)13-3-2-6(10)11/h5,8H,2-4H2,1H3,(H3,10,11)(H2,12,14)(H,13,15)
InChIKeyFXZURWOBQWURRO-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.81
Rot. Bonds4

About 5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide

5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide (PubChem CID 515636) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide
PubChem CID515636
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide
SMILES[H]/N=C(\N)CCNC(=O)C1N=C(N)CC1C
InChIInChI=1S/C9H17N5O/c1-5-4-7(12)14-8(5)9(15)13-3-2-6(10)11/h5,8H,2-4H2,1H3,(H3,10,11)(H2,12,14)(H,13,15)
InChIKeyFXZURWOBQWURRO-UHFFFAOYSA-N
XLogP-0.81
TPSA117.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide?
The IUPAC name of 5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide (CID 515636) is 5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide is [H]/N=C(\N)CCNC(=O)C1N=C(N)CC1C.
What is the InChIKey of 5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide?
The InChIKey is FXZURWOBQWURRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-5-4-7(12)14-8(5)9(15)13-3-2-6(10)11/h5,8H,2-4H2,1H3,(H3,10,11)(H2,12,14)(H,13,15).
What are the key properties of 5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide?
5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide has a molecular weight of 211.27 g/mol, XLogP of -0.81, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide is sourced from PubChem (CID 515636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).