4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide

C14H19N3O2 — CID 54885605

IUPAC4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCN1C(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H19N3O2/c1-2-12-4-3-9-17(12)14(18)11-7-5-10(6-8-11)13(15)16-19/h5-8,12,19H,2-4,9H2,1H3,(H2,15,16)
InChIKeyXFANEVYEZHUMHG-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.80
Rot. Bonds3

About 4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide

4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 54885605) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
PubChem CID54885605
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCN1C(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H19N3O2/c1-2-12-4-3-9-17(12)14(18)11-7-5-10(6-8-11)13(15)16-19/h5-8,12,19H,2-4,9H2,1H3,(H2,15,16)
InChIKeyXFANEVYEZHUMHG-UHFFFAOYSA-N
XLogP1.80
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110619094
N-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]acetamide
CID 110671105
4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 54883042
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470
N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide
CID 77002526
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide
CID 142673349

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide (CID 54885605) is 4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide is CCC1CCCN1C(=O)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is XFANEVYEZHUMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-12-4-3-9-17(12)14(18)11-7-5-10(6-8-11)13(15)16-19/h5-8,12,19H,2-4,9H2,1H3,(H2,15,16).
What are the key properties of 4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 261.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 54885605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).