N-[(3-methoxyoxolan-3-yl)methyl]propanamide

C9H17NO3 — CID 104709006

IUPACN-[(3-methoxyoxolan-3-yl)methyl]propanamide
SMILESCCC(=O)NCC1(OC)CCOC1
InChIInChI=1S/C9H17NO3/c1-3-8(11)10-6-9(12-2)4-5-13-7-9/h3-7H2,1-2H3,(H,10,11)
InChIKeyAEFFPSVQMPOHPN-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]propanamide

N-[(3-methoxyoxolan-3-yl)methyl]propanamide (PubChem CID 104709006) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]propanamide
PubChem CID104709006
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]propanamide
SMILESCCC(=O)NCC1(OC)CCOC1
InChIInChI=1S/C9H17NO3/c1-3-8(11)10-6-9(12-2)4-5-13-7-9/h3-7H2,1-2H3,(H,10,11)
InChIKeyAEFFPSVQMPOHPN-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]propanamide (CID 104709006) is N-[(3-methoxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]propanamide is CCC(=O)NCC1(OC)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
The InChIKey is AEFFPSVQMPOHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-8(11)10-6-9(12-2)4-5-13-7-9/h3-7H2,1-2H3,(H,10,11).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]propanamide?
N-[(3-methoxyoxolan-3-yl)methyl]propanamide has a molecular weight of 187.24 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 104709006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).