1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol

C10H16ClNO — CID 106439867

IUPAC1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol
SMILESCC(=CCl)CN1CC(O)(C2CC2)C1
InChIInChI=1S/C10H16ClNO/c1-8(4-11)5-12-6-10(13,7-12)9-2-3-9/h4,9,13H,2-3,5-7H2,1H3
InChIKeyMFVNTHZLPZYVLM-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.59
Rot. Bonds3

About 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol

1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol (PubChem CID 106439867) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol
PubChem CID106439867
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol
SMILESCC(=CCl)CN1CC(O)(C2CC2)C1
InChIInChI=1S/C10H16ClNO/c1-8(4-11)5-12-6-10(13,7-12)9-2-3-9/h4,9,13H,2-3,5-7H2,1H3
InChIKeyMFVNTHZLPZYVLM-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol (CID 106439867) is 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol is CC(=CCl)CN1CC(O)(C2CC2)C1.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol?
The InChIKey is MFVNTHZLPZYVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO/c1-8(4-11)5-12-6-10(13,7-12)9-2-3-9/h4,9,13H,2-3,5-7H2,1H3.
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol?
1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol has a molecular weight of 201.70 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropylazetidin-3-ol is sourced from PubChem (CID 106439867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).