(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one

C19H29N3O3 — CID 124818428

IUPAC(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@H]1N(C(=O)c2cccn2C)CCC[C@@]12CCC(=O)N2CCOC
InChIInChI=1S/C19H29N3O3/c1-4-16-19(10-8-17(23)22(19)13-14-25-3)9-6-12-21(16)18(24)15-7-5-11-20(15)2/h5,7,11,16H,4,6,8-10,12-14H2,1-3H3/t16-,19-/m1/s1
InChIKeyNMINLWUJIQNZJA-VQIMIIECSA-N
MW347.46 g/mol
LogP2.05
Rot. Bonds5

About (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one

(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 124818428) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID124818428
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@H]1N(C(=O)c2cccn2C)CCC[C@@]12CCC(=O)N2CCOC
InChIInChI=1S/C19H29N3O3/c1-4-16-19(10-8-17(23)22(19)13-14-25-3)9-6-12-21(16)18(24)15-7-5-11-20(15)2/h5,7,11,16H,4,6,8-10,12-14H2,1-3H3/t16-,19-/m1/s1
InChIKeyNMINLWUJIQNZJA-VQIMIIECSA-N
XLogP2.05
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one (CID 124818428) is (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one is CC[C@H]1N(C(=O)c2cccn2C)CCC[C@@]12CCC(=O)N2CCOC.
What is the InChIKey of (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is NMINLWUJIQNZJA-VQIMIIECSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-16-19(10-8-17(23)22(19)13-14-25-3)9-6-12-21(16)18(24)15-7-5-11-20(15)2/h5,7,11,16H,4,6,8-10,12-14H2,1-3H3/t16-,19-/m1/s1.
What are the key properties of (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one?
(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 347.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-(1-methylpyrrole-2-carbonyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 124818428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).