4-(aminomethyl)-1,3-dioxolan-2-one

C4H7NO3 — CID 22011126

IUPAC4-(aminomethyl)-1,3-dioxolan-2-one
SMILESNCC1COC(=O)O1
InChIInChI=1S/C4H7NO3/c5-1-3-2-7-4(6)8-3/h3H,1-2,5H2
InChIKeyTXLRZWSSXIZVGD-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.52
Rot. Bonds1

About 4-(aminomethyl)-1,3-dioxolan-2-one

4-(aminomethyl)-1,3-dioxolan-2-one (PubChem CID 22011126) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 4-(aminomethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1,3-dioxolan-2-one
PubChem CID22011126
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name4-(aminomethyl)-1,3-dioxolan-2-one
SMILESNCC1COC(=O)O1
InChIInChI=1S/C4H7NO3/c5-1-3-2-7-4(6)8-3/h3H,1-2,5H2
InChIKeyTXLRZWSSXIZVGD-UHFFFAOYSA-N
XLogP-0.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384
(4R)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 11819074
4-(bromomethyl)-1,3-dioxolan-2-one
CID 13226941
bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate
CID 165178075
4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
CID 13170397
4-(methylsulfinylmethyl)-1,3-dioxolan-2-one
CID 141304527
4-butyl-1,3-dioxolan-2-one
CID 162009451
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201
acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 131738683
4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one
CID 144590416
(4S)-4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one
CID 154933846
4-(3-methylbutyl)-1,3-dioxolan-2-one
CID 138595323

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(aminomethyl)-1,3-dioxolan-2-one (CID 22011126) is 4-(aminomethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(aminomethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(aminomethyl)-1,3-dioxolan-2-one is NCC1COC(=O)O1.
What is the InChIKey of 4-(aminomethyl)-1,3-dioxolan-2-one?
The InChIKey is TXLRZWSSXIZVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c5-1-3-2-7-4(6)8-3/h3H,1-2,5H2.
What are the key properties of 4-(aminomethyl)-1,3-dioxolan-2-one?
4-(aminomethyl)-1,3-dioxolan-2-one has a molecular weight of 117.10 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 22011126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).