2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride

C7H13ClN4O2 — CID 6448817

IUPAC2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride
SMILESCl.NC(=O)CN1CCC/C1=N/C(N)=O
InChIInChI=1S/C7H12N4O2.ClH/c8-5(12)4-11-3-1-2-6(11)10-7(9)13;/h1-4H2,(H2,8,12)(H2,9,13);1H/b10-6-;
InChIKeyMKGLFWYIGXEOAI-OTUCAILMSA-N
MW220.66 g/mol
LogP-0.53
Rot. Bonds2

About 2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride

2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride (PubChem CID 6448817) has the molecular formula C7H13ClN4O2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride
PubChem CID6448817
Molecular FormulaC7H13ClN4O2
Molecular Weight220.66 g/mol
Exact Mass220.07
IUPAC Name2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride
SMILESCl.NC(=O)CN1CCC/C1=N/C(N)=O
InChIInChI=1S/C7H12N4O2.ClH/c8-5(12)4-11-3-1-2-6(11)10-7(9)13;/h1-4H2,(H2,8,12)(H2,9,13);1H/b10-6-;
InChIKeyMKGLFWYIGXEOAI-OTUCAILMSA-N
XLogP-0.53
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride?
The IUPAC name of 2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride (CID 6448817) is 2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for 2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride is Cl.NC(=O)CN1CCC/C1=N/C(N)=O.
What is the InChIKey of 2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride?
The InChIKey is MKGLFWYIGXEOAI-OTUCAILMSA-N. The full InChI is InChI=1S/C7H12N4O2.ClH/c8-5(12)4-11-3-1-2-6(11)10-7(9)13;/h1-4H2,(H2,8,12)(H2,9,13);1H/b10-6-;.
What are the key properties of 2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride?
2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride has a molecular weight of 220.66 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 6448817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).