N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide

C9H15N3O3 — CID 80590834

IUPACN'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C9H15N3O3/c10-7(11-14)9(1-2-9)8(13)12-3-5-15-6-4-12/h14H,1-6H2,(H2,10,11)
InChIKeyRTFOELKXVPYVDS-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.63
Rot. Bonds2

About N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide

N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide (PubChem CID 80590834) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide
PubChem CID80590834
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C9H15N3O3/c10-7(11-14)9(1-2-9)8(13)12-3-5-15-6-4-12/h14H,1-6H2,(H2,10,11)
InChIKeyRTFOELKXVPYVDS-UHFFFAOYSA-N
XLogP-0.63
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
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

4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
CID 76920417
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide
CID 76919469
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594068
N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide
CID 76919329
N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide
CID 104876801
4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
CID 76921023
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide
CID 76986956
N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide
CID 80597473
N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide
CID 80590837
N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboximidamide
CID 80594303

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide (CID 80590834) is N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide is NC(=NO)C1(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide?
The InChIKey is RTFOELKXVPYVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c10-7(11-14)9(1-2-9)8(13)12-3-5-15-6-4-12/h14H,1-6H2,(H2,10,11).
What are the key properties of N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide?
N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide has a molecular weight of 213.24 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide is sourced from PubChem (CID 80590834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).