8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

C25H33ClN2O3 — CID 19795643

IUPAC8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOC1c2ccc(Cl)cc2C2CN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC21
InChIInChI=1S/C25H33ClN2O3/c1-31-24-18-7-6-17(26)12-19(18)20-15-27(16-21(20)24)10-4-5-11-28-22(29)13-25(14-23(28)30)8-2-3-9-25/h6-7,12,20-21,24H,2-5,8-11,13-16H2,1H3
InChIKeyWDWOUJNYWPHLNP-UHFFFAOYSA-N
MW445.00 g/mol
LogP4.55
Rot. Bonds6

About 8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 19795643) has the molecular formula C25H33ClN2O3 and a molecular weight of 445.00 g/mol. Its IUPAC name is 8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID19795643
Molecular FormulaC25H33ClN2O3
Molecular Weight445.00 g/mol
Exact Mass444.22
IUPAC Name8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOC1c2ccc(Cl)cc2C2CN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC21
InChIInChI=1S/C25H33ClN2O3/c1-31-24-18-7-6-17(26)12-19(18)20-15-27(16-21(20)24)10-4-5-11-28-22(29)13-25(14-23(28)30)8-2-3-9-25/h6-7,12,20-21,24H,2-5,8-11,13-16H2,1H3
InChIKeyWDWOUJNYWPHLNP-UHFFFAOYSA-N
XLogP4.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.00
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 19795643) is 8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione is COC1c2ccc(Cl)cc2C2CN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC21.
What is the InChIKey of 8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is WDWOUJNYWPHLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O3/c1-31-24-18-7-6-17(26)12-19(18)20-15-27(16-21(20)24)10-4-5-11-28-22(29)13-25(14-23(28)30)8-2-3-9-25/h6-7,12,20-21,24H,2-5,8-11,13-16H2,1H3.
What are the key properties of 8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 445.00 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(7-chloro-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 19795643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).