2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide

C7H15N3O — CID 61407196

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCCC1CO
InChIInChI=1S/C7H15N3O/c8-7(9)4-10-3-1-2-6(10)5-11/h6,11H,1-5H2,(H3,8,9)
InChIKeyYMESSMRVCBUDOM-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.62
Rot. Bonds3

About 2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide

2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide (PubChem CID 61407196) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
PubChem CID61407196
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCCC1CO
InChIInChI=1S/C7H15N3O/c8-7(9)4-10-3-1-2-6(10)5-11/h6,11H,1-5H2,(H3,8,9)
InChIKeyYMESSMRVCBUDOM-UHFFFAOYSA-N
XLogP-0.62
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide (CID 61407196) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide?
The InChIKey is YMESSMRVCBUDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-7(9)4-10-3-1-2-6(10)5-11/h6,11H,1-5H2,(H3,8,9).
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide has a molecular weight of 157.22 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide is sourced from PubChem (CID 61407196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).