CID 70390787

C11H14N2NaO3 — CID 70390787

IUPAC—
SMILESCCCCn1cccc1C1OC(=O)NC1=O.[Na]
InChIInChI=1S/C11H14N2O3.Na/c1-2-3-6-13-7-4-5-8(13)9-10(14)12-11(15)16-9;/h4-5,7,9H,2-3,6H2,1H3,(H,12,14,15);
InChIKeyLVSUUTXGFXQELK-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.21
Rot. Bonds4

About CID 70390787

CID 70390787 (PubChem CID 70390787) has the molecular formula C11H14N2NaO3 and a molecular weight of 245.23 g/mol.

Molecular Properties

Compound NameCID 70390787
PubChem CID70390787
Molecular FormulaC11H14N2NaO3
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name—
SMILESCCCCn1cccc1C1OC(=O)NC1=O.[Na]
InChIInChI=1S/C11H14N2O3.Na/c1-2-3-6-13-7-4-5-8(13)9-10(14)12-11(15)16-9;/h4-5,7,9H,2-3,6H2,1H3,(H,12,14,15);
InChIKeyLVSUUTXGFXQELK-UHFFFAOYSA-N
XLogP1.21
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione
CID 13052068
1-butyl-3-iodopyridin-2-one
CID 79785091
3-amino-1-butylpyridin-2-one
CID 62102283
1-butyl-2-methylpyrrole
CID 66974034
1-butyl-2-methylpyrrole;hydrobromide
CID 90238176
5-(3-propoxyphenyl)-1,3-oxazolidine-2,4-dione
CID 114239608
1-pentylpyrrol-2-amine
CID 68716148
3-iodo-1-pentylpyridin-2-one
CID 79785003
3-amino-1-pentylpyridin-2-one
CID 62102446
3-bromo-1-dodecylpyridin-2-one
CID 114761270
sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride
CID 173208039
1-hexyl-2-propylpyrrole
CID 171570441

Frequently Asked Questions

What is the IUPAC name of CID 70390787?
The IUPAC name of CID 70390787 (CID 70390787) is not available.
What is the SMILES notation for CID 70390787?
The canonical SMILES for CID 70390787 is CCCCn1cccc1C1OC(=O)NC1=O.[Na].
What is the InChIKey of CID 70390787?
The InChIKey is LVSUUTXGFXQELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.Na/c1-2-3-6-13-7-4-5-8(13)9-10(14)12-11(15)16-9;/h4-5,7,9H,2-3,6H2,1H3,(H,12,14,15);.
What are the key properties of CID 70390787?
CID 70390787 has a molecular weight of 245.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70390787 is sourced from PubChem (CID 70390787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).