(5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

C19H21N3O2 — CID 97392350

IUPAC(5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCn1cccc1C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1
InChIInChI=1S/C19H21N3O2/c1-21-11-5-8-16(21)17(23)22-12-15(14-6-3-2-4-7-14)19(13-22)9-10-20-18(19)24/h2-8,11,15H,9-10,12-13H2,1H3,(H,20,24)/t15-,19+/m0/s1
InChIKeyABBGGYFMUXOTDR-HNAYVOBHSA-N
MW323.40 g/mol
LogP1.77
Rot. Bonds2

About (5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97392350) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97392350
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCn1cccc1C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1
InChIInChI=1S/C19H21N3O2/c1-21-11-5-8-16(21)17(23)22-12-15(14-6-3-2-4-7-14)19(13-22)9-10-20-18(19)24/h2-8,11,15H,9-10,12-13H2,1H3,(H,20,24)/t15-,19+/m0/s1
InChIKeyABBGGYFMUXOTDR-HNAYVOBHSA-N
XLogP1.77
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (CID 97392350) is (5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is Cn1cccc1C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1.
What is the InChIKey of (5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is ABBGGYFMUXOTDR-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-21-11-5-8-16(21)17(23)22-12-15(14-6-3-2-4-7-14)19(13-22)9-10-20-18(19)24/h2-8,11,15H,9-10,12-13H2,1H3,(H,20,24)/t15-,19+/m0/s1.
What are the key properties of (5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 323.40 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-(1-methylpyrrole-2-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97392350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).