N-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide

C17H18N2O4 — CID 755017

IUPACN-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1c(N2CCCC2)c2ccccc2oc1=O
InChIInChI=1S/C17H18N2O4/c1-11(20)19(12(2)21)16-15(18-9-5-6-10-18)13-7-3-4-8-14(13)23-17(16)22/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyUUERDXRMQMVNCN-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.29
Rot. Bonds2

About N-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide

N-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide (PubChem CID 755017) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide
PubChem CID755017
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1c(N2CCCC2)c2ccccc2oc1=O
InChIInChI=1S/C17H18N2O4/c1-11(20)19(12(2)21)16-15(18-9-5-6-10-18)13-7-3-4-8-14(13)23-17(16)22/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyUUERDXRMQMVNCN-UHFFFAOYSA-N
XLogP2.29
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide?
The IUPAC name of N-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide (CID 755017) is N-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide?
The canonical SMILES for N-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide is CC(=O)N(C(C)=O)c1c(N2CCCC2)c2ccccc2oc1=O.
What is the InChIKey of N-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide?
The InChIKey is UUERDXRMQMVNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(20)19(12(2)21)16-15(18-9-5-6-10-18)13-7-3-4-8-14(13)23-17(16)22/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of N-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide?
N-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide has a molecular weight of 314.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide is sourced from PubChem (CID 755017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).