(7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione

C19H25NO3 — CID 146166127

IUPAC(7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione
SMILESCC12CCCC3(C=NC1)C1C(O)C4CC(=O)[C@@]1(CC[C@H]23)CC4=O
InChIInChI=1S/C19H25NO3/c1-17-4-2-5-19(10-20-9-17)13(17)3-6-18-8-12(21)11(7-14(18)22)15(23)16(18)19/h10-11,13,15-16,23H,2-9H2,1H3/t11?,13-,15?,16?,17?,18-,19?/m1/s1
InChIKeyCZLWJWJPPFSPDH-XFKCJTOGSA-N
MW315.41 g/mol
LogP2.18
Rot. Bonds

About (7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione

(7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione (PubChem CID 146166127) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione.

Molecular Properties

Compound Name(7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione
PubChem CID146166127
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione
SMILESCC12CCCC3(C=NC1)C1C(O)C4CC(=O)[C@@]1(CC[C@H]23)CC4=O
InChIInChI=1S/C19H25NO3/c1-17-4-2-5-19(10-20-9-17)13(17)3-6-18-8-12(21)11(7-14(18)22)15(23)16(18)19/h10-11,13,15-16,23H,2-9H2,1H3/t11?,13-,15?,16?,17?,18-,19?/m1/s1
InChIKeyCZLWJWJPPFSPDH-XFKCJTOGSA-N
XLogP2.18
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione?
The IUPAC name of (7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione (CID 146166127) is (7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione.
What is the SMILES notation for (7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione?
The canonical SMILES for (7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione is CC12CCCC3(C=NC1)C1C(O)C4CC(=O)[C@@]1(CC[C@H]23)CC4=O.
What is the InChIKey of (7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione?
The InChIKey is CZLWJWJPPFSPDH-XFKCJTOGSA-N. The full InChI is InChI=1S/C19H25NO3/c1-17-4-2-5-19(10-20-9-17)13(17)3-6-18-8-12(21)11(7-14(18)22)15(23)16(18)19/h10-11,13,15-16,23H,2-9H2,1H3/t11?,13-,15?,16?,17?,18-,19?/m1/s1.
What are the key properties of (7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione?
(7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione has a molecular weight of 315.41 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,10R)-3-hydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-ene-5,18-dione is sourced from PubChem (CID 146166127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).