N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide

C10H19N3O2 — CID 77071582

IUPACN'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CN2CCC(O)C2)CC1)=NO
InChIInChI=1S/C10H19N3O2/c11-9(12-15)5-10(2-3-10)7-13-4-1-8(14)6-13/h8,14-15H,1-7H2,(H2,11,12)
InChIKeyNHVWULMZKZCAGL-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.03
Rot. Bonds4

About N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 77071582) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID77071582
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CN2CCC(O)C2)CC1)=NO
InChIInChI=1S/C10H19N3O2/c11-9(12-15)5-10(2-3-10)7-13-4-1-8(14)6-13/h8,14-15H,1-7H2,(H2,11,12)
InChIKeyNHVWULMZKZCAGL-UHFFFAOYSA-N
XLogP-0.03
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide (CID 77071582) is N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide is NC(CC1(CN2CCC(O)C2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is NHVWULMZKZCAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-9(12-15)5-10(2-3-10)7-13-4-1-8(14)6-13/h8,14-15H,1-7H2,(H2,11,12).
What are the key properties of N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 213.28 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(3-hydroxypyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).