(1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene

C20H15N — CID 101391435

IUPAC(1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene
SMILESC[C@]12Cc3ccccc3-c3cccc(c31)-c1ncccc12
InChIInChI=1S/C20H15N/c1-20-12-13-6-2-3-7-14(13)15-8-4-9-16(18(15)20)19-17(20)10-5-11-21-19/h2-11H,12H2,1H3/t20-/m1/s1
InChIKeyURGGIYKBJKFPBI-HXUWFJFHSA-N
MW269.35 g/mol
LogP4.59
Rot. Bonds

About (1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene

(1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene (PubChem CID 101391435) has the molecular formula C20H15N and a molecular weight of 269.35 g/mol. Its IUPAC name is (1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene.

Molecular Properties

Compound Name(1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene
PubChem CID101391435
Molecular FormulaC20H15N
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC Name(1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene
SMILESC[C@]12Cc3ccccc3-c3cccc(c31)-c1ncccc12
InChIInChI=1S/C20H15N/c1-20-12-13-6-2-3-7-14(13)15-8-4-9-16(18(15)20)19-17(20)10-5-11-21-19/h2-11H,12H2,1H3/t20-/m1/s1
InChIKeyURGGIYKBJKFPBI-HXUWFJFHSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene?
The IUPAC name of (1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene (CID 101391435) is (1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene.
What is the SMILES notation for (1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene?
The canonical SMILES for (1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene is C[C@]12Cc3ccccc3-c3cccc(c31)-c1ncccc12.
What is the InChIKey of (1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene?
The InChIKey is URGGIYKBJKFPBI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H15N/c1-20-12-13-6-2-3-7-14(13)15-8-4-9-16(18(15)20)19-17(20)10-5-11-21-19/h2-11H,12H2,1H3/t20-/m1/s1.
What are the key properties of (1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene?
(1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene has a molecular weight of 269.35 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene is sourced from PubChem (CID 101391435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).