[2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol

C7H13NO3 — CID 14557944

IUPAC[2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol
SMILESNC1(C2(CO)OCCO2)CC1
InChIInChI=1S/C7H13NO3/c8-6(1-2-6)7(5-9)10-3-4-11-7/h9H,1-5,8H2
InChIKeyBDXOZYXFYOKZOC-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.79
Rot. Bonds2

About [2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol

[2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol (PubChem CID 14557944) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is [2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name[2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol
PubChem CID14557944
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name[2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol
SMILESNC1(C2(CO)OCCO2)CC1
InChIInChI=1S/C7H13NO3/c8-6(1-2-6)7(5-9)10-3-4-11-7/h9H,1-5,8H2
InChIKeyBDXOZYXFYOKZOC-UHFFFAOYSA-N
XLogP-0.79
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol?
The IUPAC name of [2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol (CID 14557944) is [2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for [2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for [2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol is NC1(C2(CO)OCCO2)CC1.
What is the InChIKey of [2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol?
The InChIKey is BDXOZYXFYOKZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c8-6(1-2-6)7(5-9)10-3-4-11-7/h9H,1-5,8H2.
What are the key properties of [2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol?
[2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol has a molecular weight of 159.18 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminocyclopropyl)-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 14557944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).