7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]

C16H24N2O2 — CID 82626405

IUPAC7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]
SMILESCOc1cc2c(c(OC)c1)N(C)CCC1(CCNC1)C2
InChIInChI=1S/C16H24N2O2/c1-18-7-5-16(4-6-17-11-16)10-12-8-13(19-2)9-14(20-3)15(12)18/h8-9,17H,4-7,10-11H2,1-3H3
InChIKeyLAGXEKDTOKBNEQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.07
Rot. Bonds2

About 7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]

7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine] (PubChem CID 82626405) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine].

Molecular Properties

Compound Name7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]
PubChem CID82626405
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]
SMILESCOc1cc2c(c(OC)c1)N(C)CCC1(CCNC1)C2
InChIInChI=1S/C16H24N2O2/c1-18-7-5-16(4-6-17-11-16)10-12-8-13(19-2)9-14(20-3)15(12)18/h8-9,17H,4-7,10-11H2,1-3H3
InChIKeyLAGXEKDTOKBNEQ-UHFFFAOYSA-N
XLogP2.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,8-dimethoxy-1-methylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
CID 82624256
ethane;8-methyl-2,8-diazaspiro[4.5]decan-7-one
CID 145006494
2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907793
2-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908600
6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]
CID 84620045
2-[(2-chloro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120966878
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879
2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908511
4-bromo-5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol;hydrochloride
CID 120907996
7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 56754640
1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone
CID 82625906

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]?
The IUPAC name of 7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine] (CID 82626405) is 7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine].
What is the SMILES notation for 7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]?
The canonical SMILES for 7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine] is COc1cc2c(c(OC)c1)N(C)CCC1(CCNC1)C2.
What is the InChIKey of 7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]?
The InChIKey is LAGXEKDTOKBNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18-7-5-16(4-6-17-11-16)10-12-8-13(19-2)9-14(20-3)15(12)18/h8-9,17H,4-7,10-11H2,1-3H3.
What are the key properties of 7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]?
7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine] has a molecular weight of 276.38 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethoxy-1-methylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine] is sourced from PubChem (CID 82626405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).