N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide

C16H17N3O2 — CID 77036206

IUPACN'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C16H17N3O2/c17-15(18-21)14-9-4-10-19(14)16(20)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14,21H,4,9-10H2,(H2,17,18)
InChIKeyNUOAXUOSEVUOIP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.19
Rot. Bonds2

About N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide

N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide (PubChem CID 77036206) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide
PubChem CID77036206
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C16H17N3O2/c17-15(18-21)14-9-4-10-19(14)16(20)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14,21H,4,9-10H2,(H2,17,18)
InChIKeyNUOAXUOSEVUOIP-UHFFFAOYSA-N
XLogP2.19
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.19
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

1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114345186
1-(1-benzothiophene-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036347
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041349
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
hexyl 1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate
CID 91722290
[2-(aminomethyl)-3-methylpiperidin-1-yl]-naphthalen-1-ylmethanone;hydrochloride
CID 119597118
(2R)-N-benzyl-1-[(2R)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 51049715
[2-(chloromethyl)azepan-1-yl]-naphthalen-1-ylmethanone
CID 116639192
1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114375250
1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 107016253
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide (CID 77036206) is N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide is NC(=NO)C1CCCN1C(=O)c1cccc2ccccc12.
What is the InChIKey of N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide?
The InChIKey is NUOAXUOSEVUOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-15(18-21)14-9-4-10-19(14)16(20)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14,21H,4,9-10H2,(H2,17,18).
What are the key properties of N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide?
N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide has a molecular weight of 283.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide is sourced from PubChem (CID 77036206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).