dipyrrolidin-1-ylmethanone

C9H16N2O — CID 736440

IUPACdipyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCCC1
InChIInChI=1S/C9H16N2O/c12-9(10-5-1-2-6-10)11-7-3-4-8-11/h1-8H2
InChIKeyHPTQKSXAQBHFKL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.30
Rot. Bonds

About dipyrrolidin-1-ylmethanone

dipyrrolidin-1-ylmethanone (PubChem CID 736440) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is dipyrrolidin-1-ylmethanone.

Molecular Properties

Compound Namedipyrrolidin-1-ylmethanone
PubChem CID736440
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Namedipyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCCC1
InChIInChI=1S/C9H16N2O/c12-9(10-5-1-2-6-10)11-7-3-4-8-11/h1-8H2
InChIKeyHPTQKSXAQBHFKL-UHFFFAOYSA-N
XLogP1.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dipyrrolidin-1-ylmethanone?
The IUPAC name of dipyrrolidin-1-ylmethanone (CID 736440) is dipyrrolidin-1-ylmethanone.
What is the SMILES notation for dipyrrolidin-1-ylmethanone?
The canonical SMILES for dipyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCCC1.
What is the InChIKey of dipyrrolidin-1-ylmethanone?
The InChIKey is HPTQKSXAQBHFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9(10-5-1-2-6-10)11-7-3-4-8-11/h1-8H2.
What are the key properties of dipyrrolidin-1-ylmethanone?
dipyrrolidin-1-ylmethanone has a molecular weight of 168.24 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dipyrrolidin-1-ylmethanone is sourced from PubChem (CID 736440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).