N-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide

C7H13NO3 — CID 59912740

IUPACN-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide
SMILESCC(=O)NCC1COC(C)O1
InChIInChI=1S/C7H13NO3/c1-5(9)8-3-7-4-10-6(2)11-7/h6-7H,3-4H2,1-2H3,(H,8,9)
InChIKeySMEZDNTXWWSMRG-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.12
Rot. Bonds2

About N-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide

N-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide (PubChem CID 59912740) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide
PubChem CID59912740
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide
SMILESCC(=O)NCC1COC(C)O1
InChIInChI=1S/C7H13NO3/c1-5(9)8-3-7-4-10-6(2)11-7/h6-7H,3-4H2,1-2H3,(H,8,9)
InChIKeySMEZDNTXWWSMRG-UHFFFAOYSA-N
XLogP-0.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide?
The IUPAC name of N-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide (CID 59912740) is N-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide?
The canonical SMILES for N-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide is CC(=O)NCC1COC(C)O1.
What is the InChIKey of N-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide?
The InChIKey is SMEZDNTXWWSMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(9)8-3-7-4-10-6(2)11-7/h6-7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide?
N-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide has a molecular weight of 159.18 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide is sourced from PubChem (CID 59912740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).