(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride

C15H26Cl2N2O — CID 76970776

IUPAC(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
SMILESCl.Cl.O=C1CCC[C@H]2[C@@H]3C[C@H](CN12)[C@H]1CCCCN1C3
InChIInChI=1S/C15H24N2O.2ClH/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11;;/h11-14H,1-10H2;2*1H/t11-,12-,13-,14+;;/m1../s1
InChIKeyXAJLNIYNOAYDNE-QFKNLBMVSA-N
MW321.29 g/mol
LogP2.72
Rot. Bonds

About (1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride

(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride (PubChem CID 76970776) has the molecular formula C15H26Cl2N2O and a molecular weight of 321.29 g/mol. Its IUPAC name is (1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride.

Molecular Properties

Compound Name(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
PubChem CID76970776
Molecular FormulaC15H26Cl2N2O
Molecular Weight321.29 g/mol
Exact Mass320.14
IUPAC Name(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
SMILESCl.Cl.O=C1CCC[C@H]2[C@@H]3C[C@H](CN12)[C@H]1CCCCN1C3
InChIInChI=1S/C15H24N2O.2ClH/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11;;/h11-14H,1-10H2;2*1H/t11-,12-,13-,14+;;/m1../s1
InChIKeyXAJLNIYNOAYDNE-QFKNLBMVSA-N
XLogP2.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride?
The IUPAC name of (1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride (CID 76970776) is (1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride.
What is the SMILES notation for (1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride?
The canonical SMILES for (1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride is Cl.Cl.O=C1CCC[C@H]2[C@@H]3C[C@H](CN12)[C@H]1CCCCN1C3.
What is the InChIKey of (1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride?
The InChIKey is XAJLNIYNOAYDNE-QFKNLBMVSA-N. The full InChI is InChI=1S/C15H24N2O.2ClH/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11;;/h11-14H,1-10H2;2*1H/t11-,12-,13-,14+;;/m1../s1.
What are the key properties of (1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride?
(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride has a molecular weight of 321.29 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride is sourced from PubChem (CID 76970776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).