1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one

C23H31N3O5 — CID 108810019

IUPAC1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(C(=O)C3CC(=O)N(CCCN(C)C)C3)C1)O2
InChIInChI=1S/C23H31N3O5/c1-24(2)8-4-9-25-14-16(11-21(25)28)22(29)26-10-7-23(15-26)13-19(27)18-12-17(30-3)5-6-20(18)31-23/h5-6,12,16H,4,7-11,13-15H2,1-3H3
InChIKeyMZAVEZHGTQDHOM-UHFFFAOYSA-N
MW429.52 g/mol
LogP1.43
Rot. Bonds6

About 1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 108810019) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID108810019
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Name1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(C(=O)C3CC(=O)N(CCCN(C)C)C3)C1)O2
InChIInChI=1S/C23H31N3O5/c1-24(2)8-4-9-25-14-16(11-21(25)28)22(29)26-10-7-23(15-26)13-19(27)18-12-17(30-3)5-6-20(18)31-23/h5-6,12,16H,4,7-11,13-15H2,1-3H3
InChIKeyMZAVEZHGTQDHOM-UHFFFAOYSA-N
XLogP1.43
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 108810019) is 1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one is COc1ccc2c(c1)C(=O)CC1(CCN(C(=O)C3CC(=O)N(CCCN(C)C)C3)C1)O2.
What is the InChIKey of 1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is MZAVEZHGTQDHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-24(2)8-4-9-25-14-16(11-21(25)28)22(29)26-10-7-23(15-26)13-19(27)18-12-17(30-3)5-6-20(18)31-23/h5-6,12,16H,4,7-11,13-15H2,1-3H3.
What are the key properties of 1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 429.52 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 108810019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).