1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one

C17H29NO — CID 106651985

IUPAC1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C)(C(=O)C1=CCCCCCC1)N1CCCC1
InChIInChI=1S/C17H29NO/c1-3-17(2,18-13-9-10-14-18)16(19)15-11-7-5-4-6-8-12-15/h11H,3-10,12-14H2,1-2H3
InChIKeyMFEZYNYUZBLSKC-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.10
Rot. Bonds4

About 1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one

1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 106651985) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
PubChem CID106651985
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C)(C(=O)C1=CCCCCCC1)N1CCCC1
InChIInChI=1S/C17H29NO/c1-3-17(2,18-13-9-10-14-18)16(19)15-11-7-5-4-6-8-12-15/h11H,3-10,12-14H2,1-2H3
InChIKeyMFEZYNYUZBLSKC-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one (CID 106651985) is 1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one is CCC(C)(C(=O)C1=CCCCCCC1)N1CCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is MFEZYNYUZBLSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-17(2,18-13-9-10-14-18)16(19)15-11-7-5-4-6-8-12-15/h11H,3-10,12-14H2,1-2H3.
What are the key properties of 1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one?
1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 263.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 106651985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).