N'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide

C12H22N2O3 — CID 141131014

IUPACN'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide
SMILESC/C=C(\C)O/N=C(\N)C1(OCCO)CCCC1
InChIInChI=1S/C12H22N2O3/c1-3-10(2)17-14-11(13)12(16-9-8-15)6-4-5-7-12/h3,15H,4-9H2,1-2H3,(H2,13,14)/b10-3+
InChIKeyNXRXIAWPZFYFRB-XCVCLJGOSA-N
MW242.32 g/mol
LogP1.52
Rot. Bonds6

About N'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide

N'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide (PubChem CID 141131014) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide
PubChem CID141131014
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide
SMILESC/C=C(\C)O/N=C(\N)C1(OCCO)CCCC1
InChIInChI=1S/C12H22N2O3/c1-3-10(2)17-14-11(13)12(16-9-8-15)6-4-5-7-12/h3,15H,4-9H2,1-2H3,(H2,13,14)/b10-3+
InChIKeyNXRXIAWPZFYFRB-XCVCLJGOSA-N
XLogP1.52
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

diethyl (E)-2-[[amino-[1-(2-hydroxyethoxy)cyclopentyl]methylidene]amino]oxybut-2-enedioate
CID 86617179
diethyl (Z)-2-[[amino-[1-(2-hydroxyethoxy)cyclopentyl]methylidene]amino]oxybut-2-enedioate
CID 173146340
ethyl (E)-3-[[amino-[1-(2-hydroxyethoxy)cyclobutyl]methylidene]amino]oxyprop-2-enoate
CID 173494038
1-(2-hydroxyethoxy)cyclooctane-1-carboxylic acid
CID 83226715
1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide
CID 116780064
3-(2-hydroxyethoxy)-1,1-dioxothiane-3-carboxylic acid
CID 103377644
N'-hydroxy-4-(2-hydroxyethoxy)-1-(4-methylphenyl)sulfonylpiperidine-4-carboximidamide
CID 91074886
[[amino-[1-(aminomethyl)cyclohexyl]methylidene]amino] acetate
CID 173313757
1-(1-propoxycyclobutyl)ethanone
CID 83224918
2-(1-butylcyclohexyl)oxyethanol
CID 141443890
2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol
CID 124681348
4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid
CID 103377682

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide?
The IUPAC name of N'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide (CID 141131014) is N'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide is C/C=C(\C)O/N=C(\N)C1(OCCO)CCCC1.
What is the InChIKey of N'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide?
The InChIKey is NXRXIAWPZFYFRB-XCVCLJGOSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-10(2)17-14-11(13)12(16-9-8-15)6-4-5-7-12/h3,15H,4-9H2,1-2H3,(H2,13,14)/b10-3+.
What are the key properties of N'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide?
N'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide has a molecular weight of 242.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide is sourced from PubChem (CID 141131014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).