N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide

C15H22N2O2 — CID 83205587

IUPACN-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide
SMILESCCC(C)NC(=O)Cn1cc2c(c1)C(=O)CCCC2
InChIInChI=1S/C15H22N2O2/c1-3-11(2)16-15(19)10-17-8-12-6-4-5-7-14(18)13(12)9-17/h8-9,11H,3-7,10H2,1-2H3,(H,16,19)
InChIKeySEORBDUIQCJFGL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.31
Rot. Bonds4

About N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide

N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide (PubChem CID 83205587) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide
PubChem CID83205587
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide
SMILESCCC(C)NC(=O)Cn1cc2c(c1)C(=O)CCCC2
InChIInChI=1S/C15H22N2O2/c1-3-11(2)16-15(19)10-17-8-12-6-4-5-7-14(18)13(12)9-17/h8-9,11H,3-7,10H2,1-2H3,(H,16,19)
InChIKeySEORBDUIQCJFGL-UHFFFAOYSA-N
XLogP2.31
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide (CID 83205587) is N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide is CCC(C)NC(=O)Cn1cc2c(c1)C(=O)CCCC2.
What is the InChIKey of N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide?
The InChIKey is SEORBDUIQCJFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-11(2)16-15(19)10-17-8-12-6-4-5-7-14(18)13(12)9-17/h8-9,11H,3-7,10H2,1-2H3,(H,16,19).
What are the key properties of N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide?
N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-2-yl)acetamide is sourced from PubChem (CID 83205587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).