9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

C18H23N3 — CID 117451850

IUPAC9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCn1c2c(c3cccc(C4CCCN4)c31)C1CCN2CC1
InChIInChI=1S/C18H23N3/c1-20-17-13(15-6-3-9-19-15)4-2-5-14(17)16-12-7-10-21(11-8-12)18(16)20/h2,4-5,12,15,19H,3,6-11H2,1H3
InChIKeyGCDCWLLEVUPYFR-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.30
Rot. Bonds1

About 9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (PubChem CID 117451850) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.

Molecular Properties

Compound Name9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
PubChem CID117451850
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCn1c2c(c3cccc(C4CCCN4)c31)C1CCN2CC1
InChIInChI=1S/C18H23N3/c1-20-17-13(15-6-3-9-19-15)4-2-5-14(17)16-12-7-10-21(11-8-12)18(16)20/h2,4-5,12,15,19H,3,6-11H2,1H3
InChIKeyGCDCWLLEVUPYFR-UHFFFAOYSA-N
XLogP3.30
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene with MolForge

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Related Compounds

(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)methanol
CID 117274366
[1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopentyl]methanamine
CID 117494241
1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclopropane-1-carboxylic acid
CID 117477650
3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1,2-oxazol-5-amine
CID 117474939
(2R)-2-naphthalen-1-ylpyrrolidine;hydrochloride
CID 154803630
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911
5-[(2R)-pyrrolidin-2-yl]quinoline
CID 66518640
1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine
CID 150704826
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
2-naphthalen-1-ylpiperidine
CID 4209523
2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol
CID 55263489
2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The IUPAC name of 9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (CID 117451850) is 9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.
What is the SMILES notation for 9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The canonical SMILES for 9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is Cn1c2c(c3cccc(C4CCCN4)c31)C1CCN2CC1.
What is the InChIKey of 9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The InChIKey is GCDCWLLEVUPYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-20-17-13(15-6-3-9-19-15)4-2-5-14(17)16-12-7-10-21(11-8-12)18(16)20/h2,4-5,12,15,19H,3,6-11H2,1H3.
What are the key properties of 9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene has a molecular weight of 281.40 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-pyrrolidin-2-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is sourced from PubChem (CID 117451850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).