2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide

C15H24N2O2 — CID 83207871

IUPAC2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cc2c(c1)C(O)CCCC2
InChIInChI=1S/C15H24N2O2/c1-11(2)16(3)15(19)10-17-8-12-6-4-5-7-14(18)13(12)9-17/h8-9,11,14,18H,4-7,10H2,1-3H3
InChIKeyARNMFAZSMMXIRV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide

2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 83207871) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID83207871
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cc2c(c1)C(O)CCCC2
InChIInChI=1S/C15H24N2O2/c1-11(2)16(3)15(19)10-17-8-12-6-4-5-7-14(18)13(12)9-17/h8-9,11,14,18H,4-7,10H2,1-3H3
InChIKeyARNMFAZSMMXIRV-UHFFFAOYSA-N
XLogP2.11
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide (CID 83207871) is 2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1cc2c(c1)C(O)CCCC2.
What is the InChIKey of 2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is ARNMFAZSMMXIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)16(3)15(19)10-17-8-12-6-4-5-7-14(18)13(12)9-17/h8-9,11,14,18H,4-7,10H2,1-3H3.
What are the key properties of 2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide?
2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 264.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 83207871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).