N-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide

C7H14N4O — CID 79155073

IUPACN-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide
SMILES[H]/N=C(\N)CNC(=O)N1CCCC1
InChIInChI=1S/C7H14N4O/c8-6(9)5-10-7(12)11-3-1-2-4-11/h1-5H2,(H3,8,9)(H,10,12)
InChIKeyQZCFEKPCIKMGQJ-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.27
Rot. Bonds2

About N-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide

N-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide (PubChem CID 79155073) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is N-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide
PubChem CID79155073
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC NameN-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide
SMILES[H]/N=C(\N)CNC(=O)N1CCCC1
InChIInChI=1S/C7H14N4O/c8-6(9)5-10-7(12)11-3-1-2-4-11/h1-5H2,(H3,8,9)(H,10,12)
InChIKeyQZCFEKPCIKMGQJ-UHFFFAOYSA-N
XLogP-0.27
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide (CID 79155073) is N-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide is [H]/N=C(\N)CNC(=O)N1CCCC1.
What is the InChIKey of N-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide?
The InChIKey is QZCFEKPCIKMGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c8-6(9)5-10-7(12)11-3-1-2-4-11/h1-5H2,(H3,8,9)(H,10,12).
What are the key properties of N-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide?
N-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide has a molecular weight of 170.22 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79155073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).