2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one

C15H22N2O3 — CID 106616373

IUPAC2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one
SMILESO=c1cc(CN(CC2CC2)CC2CCCN2)occ1O
InChIInChI=1S/C15H22N2O3/c18-14-6-13(20-10-15(14)19)9-17(7-11-3-4-11)8-12-2-1-5-16-12/h6,10-12,16,19H,1-5,7-9H2
InChIKeyHSQRPZXSACQCSD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.31
Rot. Bonds6

About 2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one

2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one (PubChem CID 106616373) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one
PubChem CID106616373
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one
SMILESO=c1cc(CN(CC2CC2)CC2CCCN2)occ1O
InChIInChI=1S/C15H22N2O3/c18-14-6-13(20-10-15(14)19)9-17(7-11-3-4-11)8-12-2-1-5-16-12/h6,10-12,16,19H,1-5,7-9H2
InChIKeyHSQRPZXSACQCSD-UHFFFAOYSA-N
XLogP1.31
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one
CID 106614645
1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604438
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604413
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106616433
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604456
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616244
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 106604608
5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one
CID 106616432
1-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604588
1-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616386
1-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604598
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608308

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one (CID 106616373) is 2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one is O=c1cc(CN(CC2CC2)CC2CCCN2)occ1O.
What is the InChIKey of 2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one?
The InChIKey is HSQRPZXSACQCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14-6-13(20-10-15(14)19)9-17(7-11-3-4-11)8-12-2-1-5-16-12/h6,10-12,16,19H,1-5,7-9H2.
What are the key properties of 2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one?
2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one has a molecular weight of 278.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 106616373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).