[1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol

C9H13NO2 — CID 63208056

IUPAC[1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol
SMILESNCC1(CO)CC1c1ccoc1
InChIInChI=1S/C9H13NO2/c10-5-9(6-11)3-8(9)7-1-2-12-4-7/h1-2,4,8,11H,3,5-6,10H2
InChIKeyOTBOJFUHPJZKBU-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.70
Rot. Bonds3

About [1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol

[1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol (PubChem CID 63208056) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is [1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol
PubChem CID63208056
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name[1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol
SMILESNCC1(CO)CC1c1ccoc1
InChIInChI=1S/C9H13NO2/c10-5-9(6-11)3-8(9)7-1-2-12-4-7/h1-2,4,8,11H,3,5-6,10H2
InChIKeyOTBOJFUHPJZKBU-UHFFFAOYSA-N
XLogP0.70
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol?
The IUPAC name of [1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol (CID 63208056) is [1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol.
What is the SMILES notation for [1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol?
The canonical SMILES for [1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol is NCC1(CO)CC1c1ccoc1.
What is the InChIKey of [1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol?
The InChIKey is OTBOJFUHPJZKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c10-5-9(6-11)3-8(9)7-1-2-12-4-7/h1-2,4,8,11H,3,5-6,10H2.
What are the key properties of [1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol?
[1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol has a molecular weight of 167.21 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol is sourced from PubChem (CID 63208056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).