5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one

C20H37NO — CID 167191429

IUPAC5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one
SMILESCC(C)CC1C(=O)N(C(C)C)C2CCCCCCC(C)CC12
InChIInChI=1S/C20H37NO/c1-14(2)12-18-17-13-16(5)10-8-6-7-9-11-19(17)21(15(3)4)20(18)22/h14-19H,6-13H2,1-5H3
InChIKeyIZOPBMOVYGCJRG-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.26
Rot. Bonds3

About 5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one

5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one (PubChem CID 167191429) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one.

Molecular Properties

Compound Name5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one
PubChem CID167191429
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one
SMILESCC(C)CC1C(=O)N(C(C)C)C2CCCCCCC(C)CC12
InChIInChI=1S/C20H37NO/c1-14(2)12-18-17-13-16(5)10-8-6-7-9-11-19(17)21(15(3)4)20(18)22/h14-19H,6-13H2,1-5H3
InChIKeyIZOPBMOVYGCJRG-UHFFFAOYSA-N
XLogP5.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one?
The IUPAC name of 5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one (CID 167191429) is 5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one.
What is the SMILES notation for 5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one?
The canonical SMILES for 5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one is CC(C)CC1C(=O)N(C(C)C)C2CCCCCCC(C)CC12.
What is the InChIKey of 5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one?
The InChIKey is IZOPBMOVYGCJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-14(2)12-18-17-13-16(5)10-8-6-7-9-11-19(17)21(15(3)4)20(18)22/h14-19H,6-13H2,1-5H3.
What are the key properties of 5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one?
5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one has a molecular weight of 307.52 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpropyl)-1-propan-2-yl-3a,4,5,6,7,8,9,10,11,11a-decahydro-3H-cyclodeca[b]pyrrol-2-one is sourced from PubChem (CID 167191429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).