cyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone

C19H23NO2 — CID 70666538

IUPACcyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone
SMILESC[C@@]12CC3[C@H]1[C@@H](Cc1ccc(O)cc12)N3C(=O)C1CCCC1
InChIInChI=1S/C19H23NO2/c1-19-10-16-17(19)15(8-12-6-7-13(21)9-14(12)19)20(16)18(22)11-4-2-3-5-11/h6-7,9,11,15-17,21H,2-5,8,10H2,1H3/t15-,16?,17-,19+/m1/s1
InChIKeyKFVKCOWOAOVJNU-OJUYECANSA-N
MW297.40 g/mol
LogP3.00
Rot. Bonds1

About cyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone

cyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone (PubChem CID 70666538) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is cyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone
PubChem CID70666538
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Namecyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone
SMILESC[C@@]12CC3[C@H]1[C@@H](Cc1ccc(O)cc12)N3C(=O)C1CCCC1
InChIInChI=1S/C19H23NO2/c1-19-10-16-17(19)15(8-12-6-7-13(21)9-14(12)19)20(16)18(22)11-4-2-3-5-11/h6-7,9,11,15-17,21H,2-5,8,10H2,1H3/t15-,16?,17-,19+/m1/s1
InChIKeyKFVKCOWOAOVJNU-OJUYECANSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone?
The IUPAC name of cyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone (CID 70666538) is cyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone.
What is the SMILES notation for cyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone?
The canonical SMILES for cyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone is C[C@@]12CC3[C@H]1[C@@H](Cc1ccc(O)cc12)N3C(=O)C1CCCC1.
What is the InChIKey of cyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone?
The InChIKey is KFVKCOWOAOVJNU-OJUYECANSA-N. The full InChI is InChI=1S/C19H23NO2/c1-19-10-16-17(19)15(8-12-6-7-13(21)9-14(12)19)20(16)18(22)11-4-2-3-5-11/h6-7,9,11,15-17,21H,2-5,8,10H2,1H3/t15-,16?,17-,19+/m1/s1.
What are the key properties of cyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone?
cyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone has a molecular weight of 297.40 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(1R,9R,13S)-4-hydroxy-1-methyl-10-azatetracyclo[7.3.1.02,7.011,13]trideca-2(7),3,5-trien-10-yl]methanone is sourced from PubChem (CID 70666538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).