1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one

C9H17NO2 — CID 58870173

IUPAC1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one
SMILESCC(=O)CN(C)CC1CCCO1
InChIInChI=1S/C9H17NO2/c1-8(11)6-10(2)7-9-4-3-5-12-9/h9H,3-7H2,1-2H3
InChIKeyNQDPOTJGZXATPN-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.69
Rot. Bonds4

About 1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one

1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one (PubChem CID 58870173) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one
PubChem CID58870173
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one
SMILESCC(=O)CN(C)CC1CCCO1
InChIInChI=1S/C9H17NO2/c1-8(11)6-10(2)7-9-4-3-5-12-9/h9H,3-7H2,1-2H3
InChIKeyNQDPOTJGZXATPN-UHFFFAOYSA-N
XLogP0.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one?
The IUPAC name of 1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one (CID 58870173) is 1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one.
What is the SMILES notation for 1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one?
The canonical SMILES for 1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one is CC(=O)CN(C)CC1CCCO1.
What is the InChIKey of 1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one?
The InChIKey is NQDPOTJGZXATPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(11)6-10(2)7-9-4-3-5-12-9/h9H,3-7H2,1-2H3.
What are the key properties of 1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one?
1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(oxolan-2-ylmethyl)amino]propan-2-one is sourced from PubChem (CID 58870173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).