1,7-dipyrrolidin-1-ylheptane-1,7-dione

C15H26N2O2 — CID 14040377

IUPAC1,7-dipyrrolidin-1-ylheptane-1,7-dione
SMILESO=C(CCCCCC(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C15H26N2O2/c18-14(16-10-4-5-11-16)8-2-1-3-9-15(19)17-12-6-7-13-17/h1-13H2
InChIKeyYZZDXOSOSAVFCL-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.18
Rot. Bonds6

About 1,7-dipyrrolidin-1-ylheptane-1,7-dione

1,7-dipyrrolidin-1-ylheptane-1,7-dione (PubChem CID 14040377) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1,7-dipyrrolidin-1-ylheptane-1,7-dione.

Molecular Properties

Compound Name1,7-dipyrrolidin-1-ylheptane-1,7-dione
PubChem CID14040377
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1,7-dipyrrolidin-1-ylheptane-1,7-dione
SMILESO=C(CCCCCC(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C15H26N2O2/c18-14(16-10-4-5-11-16)8-2-1-3-9-15(19)17-12-6-7-13-17/h1-13H2
InChIKeyYZZDXOSOSAVFCL-UHFFFAOYSA-N
XLogP2.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,5-Dipyrrolidin-1-ylpentane-1,5-dione
CID 2804873
2-Pyrrolidinone, 1-(1-oxoheptyl)-
CID 14278922
1-Pyrrolidin-1-ylnonan-1-one
CID 246838
N-(Decanoyl)pyrrolidine
CID 3512002
1,9-Nonanedioic acid, pyrrolidide
CID 247218
N-octanoylpyrrolidine
CID 246836
2-Pyrrolidinone, 1-(6-(1-pyrrolidinyl)hexyl)-
CID 203325
1,6-Bis(1-pyrrolidinyl)-1,6-hexanedione
CID 1812104
1,1'-Hexamethylenebis(pyrrolidin-2-one)
CID 118729
1-Pyrrolidin-1-ylheptan-1-one
CID 4387140
1,6-Bis(2-oxopyrrolidin-1-yl)hexane-1,6-dione
CID 3089042
1,10-Bis(2-oxopyrrolidin-1-yl)decane-1,10-dione
CID 3089047

Frequently Asked Questions

What is the IUPAC name of 1,7-dipyrrolidin-1-ylheptane-1,7-dione?
The IUPAC name of 1,7-dipyrrolidin-1-ylheptane-1,7-dione (CID 14040377) is 1,7-dipyrrolidin-1-ylheptane-1,7-dione.
What is the SMILES notation for 1,7-dipyrrolidin-1-ylheptane-1,7-dione?
The canonical SMILES for 1,7-dipyrrolidin-1-ylheptane-1,7-dione is O=C(CCCCCC(=O)N1CCCC1)N1CCCC1.
What is the InChIKey of 1,7-dipyrrolidin-1-ylheptane-1,7-dione?
The InChIKey is YZZDXOSOSAVFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-14(16-10-4-5-11-16)8-2-1-3-9-15(19)17-12-6-7-13-17/h1-13H2.
What are the key properties of 1,7-dipyrrolidin-1-ylheptane-1,7-dione?
1,7-dipyrrolidin-1-ylheptane-1,7-dione has a molecular weight of 266.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dipyrrolidin-1-ylheptane-1,7-dione is sourced from PubChem (CID 14040377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).