1,6-dipyrrolidin-1-ylhexane-3,4-dione

C14H24N2O2 — CID 3628395

IUPAC1,6-dipyrrolidin-1-ylhexane-3,4-dione
SMILESO=C(CCN1CCCC1)C(=O)CCN1CCCC1
InChIInChI=1S/C14H24N2O2/c17-13(5-11-15-7-1-2-8-15)14(18)6-12-16-9-3-4-10-16/h1-12H2
InChIKeyZJPVDHKLHFRQHC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.10
Rot. Bonds7

About 1,6-dipyrrolidin-1-ylhexane-3,4-dione

1,6-dipyrrolidin-1-ylhexane-3,4-dione (PubChem CID 3628395) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1,6-dipyrrolidin-1-ylhexane-3,4-dione.

Molecular Properties

Compound Name1,6-dipyrrolidin-1-ylhexane-3,4-dione
PubChem CID3628395
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1,6-dipyrrolidin-1-ylhexane-3,4-dione
SMILESO=C(CCN1CCCC1)C(=O)CCN1CCCC1
InChIInChI=1S/C14H24N2O2/c17-13(5-11-15-7-1-2-8-15)14(18)6-12-16-9-3-4-10-16/h1-12H2
InChIKeyZJPVDHKLHFRQHC-UHFFFAOYSA-N
XLogP1.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

hydrazine;3-piperidin-1-ylpropanoic acid
CID 161275938
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3-piperidin-1-ylpropanoyl chloride;hydrochloride
CID 87714675
1,1,1-trifluoro-4-pyrrolidin-1-ylbutan-2-one
CID 82534998
N-methyl-3-pyrrolidin-1-ylpropanamide
CID 20700879
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
11-pyrrolidin-1-ylundecanamide
CID 175975624
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
N,N-diethyl-3-piperidin-1-ylpropanamide
CID 110688324
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273

Frequently Asked Questions

What is the IUPAC name of 1,6-dipyrrolidin-1-ylhexane-3,4-dione?
The IUPAC name of 1,6-dipyrrolidin-1-ylhexane-3,4-dione (CID 3628395) is 1,6-dipyrrolidin-1-ylhexane-3,4-dione.
What is the SMILES notation for 1,6-dipyrrolidin-1-ylhexane-3,4-dione?
The canonical SMILES for 1,6-dipyrrolidin-1-ylhexane-3,4-dione is O=C(CCN1CCCC1)C(=O)CCN1CCCC1.
What is the InChIKey of 1,6-dipyrrolidin-1-ylhexane-3,4-dione?
The InChIKey is ZJPVDHKLHFRQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-13(5-11-15-7-1-2-8-15)14(18)6-12-16-9-3-4-10-16/h1-12H2.
What are the key properties of 1,6-dipyrrolidin-1-ylhexane-3,4-dione?
1,6-dipyrrolidin-1-ylhexane-3,4-dione has a molecular weight of 252.36 g/mol, XLogP of 1.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dipyrrolidin-1-ylhexane-3,4-dione is sourced from PubChem (CID 3628395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).