1-propan-2-ylazetidin-3-ol

C6H13NO — CID 544677

IUPAC1-propan-2-ylazetidin-3-ol
SMILESCC(C)N1CC(O)C1
InChIInChI=1S/C6H13NO/c1-5(2)7-3-6(8)4-7/h5-6,8H,3-4H2,1-2H3
InChIKeyXSGMJDQRZDWEPW-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.07
Rot. Bonds1

About 1-propan-2-ylazetidin-3-ol

1-propan-2-ylazetidin-3-ol (PubChem CID 544677) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-propan-2-ylazetidin-3-ol.

Molecular Properties

Compound Name1-propan-2-ylazetidin-3-ol
PubChem CID544677
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-propan-2-ylazetidin-3-ol
SMILESCC(C)N1CC(O)C1
InChIInChI=1S/C6H13NO/c1-5(2)7-3-6(8)4-7/h5-6,8H,3-4H2,1-2H3
InChIKeyXSGMJDQRZDWEPW-UHFFFAOYSA-N
XLogP0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylazetidin-3-ol?
The IUPAC name of 1-propan-2-ylazetidin-3-ol (CID 544677) is 1-propan-2-ylazetidin-3-ol.
What is the SMILES notation for 1-propan-2-ylazetidin-3-ol?
The canonical SMILES for 1-propan-2-ylazetidin-3-ol is CC(C)N1CC(O)C1.
What is the InChIKey of 1-propan-2-ylazetidin-3-ol?
The InChIKey is XSGMJDQRZDWEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)7-3-6(8)4-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-ylazetidin-3-ol?
1-propan-2-ylazetidin-3-ol has a molecular weight of 115.18 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylazetidin-3-ol is sourced from PubChem (CID 544677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).