1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one

C22H31N3O2 — CID 166614962

IUPAC1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCC[C@H](C3CC3)N1C2
InChIInChI=1S/C22H31N3O2/c26-21-6-1-2-10-23(21)11-9-22(27)24-13-16-12-18(15-24)20-5-3-4-19(17-7-8-17)25(20)14-16/h1-2,6,10,16-20H,3-5,7-9,11-15H2/t16-,18+,19+,20-/m0/s1
InChIKeyRRLMURZMLSDSQV-NBYUQASBSA-N
MW369.51 g/mol
LogP2.35
Rot. Bonds4

About 1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one

1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 166614962) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one
PubChem CID166614962
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCC[C@H](C3CC3)N1C2
InChIInChI=1S/C22H31N3O2/c26-21-6-1-2-10-23(21)11-9-22(27)24-13-16-12-18(15-24)20-5-3-4-19(17-7-8-17)25(20)14-16/h1-2,6,10,16-20H,3-5,7-9,11-15H2/t16-,18+,19+,20-/m0/s1
InChIKeyRRLMURZMLSDSQV-NBYUQASBSA-N
XLogP2.35
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one with MolForge

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Related Compounds

Anagyrine
CID 5351589
Npc135639
CID 442938
(-)-Thermopsine
CID 638234
(+)-Thermopsine
CID 682648
(10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
CID 10246
Thermopsine
CID 92768
(1S,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
CID 171283
Monolupin
CID 71056954
(1R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
CID 6920824
Thermopsine perchlorate
CID 228640
(1S,9R,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
CID 442967
7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, [7R-(7alpha,7aalpha,14alpha)]-
CID 91746595

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one (CID 166614962) is 1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCC[C@H](C3CC3)N1C2.
What is the InChIKey of 1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is RRLMURZMLSDSQV-NBYUQASBSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-21-6-1-2-10-23(21)11-9-22(27)24-13-16-12-18(15-24)20-5-3-4-19(17-7-8-17)25(20)14-16/h1-2,6,10,16-20H,3-5,7-9,11-15H2/t16-,18+,19+,20-/m0/s1.
What are the key properties of 1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 369.51 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 166614962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).