1-(methylamino)-5-(oxolan-2-yl)pentan-3-one

C10H19NO2 — CID 116561140

IUPAC1-(methylamino)-5-(oxolan-2-yl)pentan-3-one
SMILESCNCCC(=O)CCC1CCCO1
InChIInChI=1S/C10H19NO2/c1-11-7-6-9(12)4-5-10-3-2-8-13-10/h10-11H,2-8H2,1H3
InChIKeyAWLQPZCAMTYVIM-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.12
Rot. Bonds6

About 1-(methylamino)-5-(oxolan-2-yl)pentan-3-one

1-(methylamino)-5-(oxolan-2-yl)pentan-3-one (PubChem CID 116561140) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(methylamino)-5-(oxolan-2-yl)pentan-3-one.

Molecular Properties

Compound Name1-(methylamino)-5-(oxolan-2-yl)pentan-3-one
PubChem CID116561140
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(methylamino)-5-(oxolan-2-yl)pentan-3-one
SMILESCNCCC(=O)CCC1CCCO1
InChIInChI=1S/C10H19NO2/c1-11-7-6-9(12)4-5-10-3-2-8-13-10/h10-11H,2-8H2,1H3
InChIKeyAWLQPZCAMTYVIM-UHFFFAOYSA-N
XLogP1.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-5-(oxiran-2-yl)pentan-3-one
CID 165461836
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
1-(oxolan-2-yl)hept-6-en-3-one
CID 114974959
4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one
CID 116589479
1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 81022159
2-methyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 115780995
N-(1-bromo-4-methylpentan-2-yl)-3-(oxolan-2-yl)propanamide
CID 114311800
N-methyl-2-[2-(oxolan-2-yl)ethylamino]acetamide
CID 61039623
1-(oxolan-2-yl)undecan-4-one
CID 114976697

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-5-(oxolan-2-yl)pentan-3-one?
The IUPAC name of 1-(methylamino)-5-(oxolan-2-yl)pentan-3-one (CID 116561140) is 1-(methylamino)-5-(oxolan-2-yl)pentan-3-one.
What is the SMILES notation for 1-(methylamino)-5-(oxolan-2-yl)pentan-3-one?
The canonical SMILES for 1-(methylamino)-5-(oxolan-2-yl)pentan-3-one is CNCCC(=O)CCC1CCCO1.
What is the InChIKey of 1-(methylamino)-5-(oxolan-2-yl)pentan-3-one?
The InChIKey is AWLQPZCAMTYVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11-7-6-9(12)4-5-10-3-2-8-13-10/h10-11H,2-8H2,1H3.
What are the key properties of 1-(methylamino)-5-(oxolan-2-yl)pentan-3-one?
1-(methylamino)-5-(oxolan-2-yl)pentan-3-one has a molecular weight of 185.27 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-5-(oxolan-2-yl)pentan-3-one is sourced from PubChem (CID 116561140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).