N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide

C17H19N3O2 — CID 135411944

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H19N3O2/c21-16-8-7-13-5-1-2-6-14(13)15(16)11-18-19-17(22)12-20-9-3-4-10-20/h1-2,5-8,11,21H,3-4,9-10,12H2,(H,19,22)/b18-11+
InChIKeyWEKHAHHLTDKMPK-WOJGMQOQSA-N
MW297.36 g/mol
LogP2.09
Rot. Bonds4

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide (PubChem CID 135411944) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide
PubChem CID135411944
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H19N3O2/c21-16-8-7-13-5-1-2-6-14(13)15(16)11-18-19-17(22)12-20-9-3-4-10-20/h1-2,5-8,11,21H,3-4,9-10,12H2,(H,19,22)/b18-11+
InChIKeyWEKHAHHLTDKMPK-WOJGMQOQSA-N
XLogP2.09
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide (CID 135411944) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide?
The InChIKey is WEKHAHHLTDKMPK-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-8-7-13-5-1-2-6-14(13)15(16)11-18-19-17(22)12-20-9-3-4-10-20/h1-2,5-8,11,21H,3-4,9-10,12H2,(H,19,22)/b18-11+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide has a molecular weight of 297.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 135411944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).