N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide

C11H21N3O2 — CID 77071455

IUPACN'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CN2CCCC2CO)CC1)=NO
InChIInChI=1S/C11H21N3O2/c12-10(13-16)6-11(3-4-11)8-14-5-1-2-9(14)7-15/h9,15-16H,1-8H2,(H2,12,13)
InChIKeyYZKQUEJBIISBQE-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.36
Rot. Bonds5

About N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide (PubChem CID 77071455) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide
PubChem CID77071455
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CN2CCCC2CO)CC1)=NO
InChIInChI=1S/C11H21N3O2/c12-10(13-16)6-11(3-4-11)8-14-5-1-2-9(14)7-15/h9,15-16H,1-8H2,(H2,12,13)
InChIKeyYZKQUEJBIISBQE-UHFFFAOYSA-N
XLogP0.36
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.36
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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Related Compounds

[1-[[1-(phosphanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol
CID 172627736
[1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol
CID 65009034
N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071646
2-[1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071584
[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol
CID 116638263
N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071619
[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol
CID 62260834
N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide
CID 66370671
N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071383
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 14799157
[1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]piperidin-2-yl]methanol
CID 62259143
N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide
CID 113399250

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide (CID 77071455) is N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide is NC(CC1(CN2CCCC2CO)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide?
The InChIKey is YZKQUEJBIISBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-10(13-16)6-11(3-4-11)8-14-5-1-2-9(14)7-15/h9,15-16H,1-8H2,(H2,12,13).
What are the key properties of N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide has a molecular weight of 227.31 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).