1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol

C11H20ClNO — CID 106440949

IUPAC1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(=CCl)CN1CCCC1CC(C)O
InChIInChI=1S/C11H20ClNO/c1-9(7-12)8-13-5-3-4-11(13)6-10(2)14/h7,10-11,14H,3-6,8H2,1-2H3
InChIKeyBGIKAVGUHGIORC-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.36
Rot. Bonds4

About 1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol

1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 106440949) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol
PubChem CID106440949
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(=CCl)CN1CCCC1CC(C)O
InChIInChI=1S/C11H20ClNO/c1-9(7-12)8-13-5-3-4-11(13)6-10(2)14/h7,10-11,14H,3-6,8H2,1-2H3
InChIKeyBGIKAVGUHGIORC-UHFFFAOYSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-Chloropropyl)pyrrolidin-2-yl]propan-2-ol
CID 141179965
3-[1-[2-(Chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
CID 103067813
8-[2-(Chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 103067868
1-[1-(2,3-Dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol
CID 103839094
2-[1-(3-Chloro-2-methylprop-2-enyl)piperidin-2-yl]ethanol
CID 106439843
3-[1-(3-Chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 106439857
8-(3-Chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 106439861
1-[1-(3-Chloro-2-methylprop-2-enyl)piperidin-2-yl]propan-2-ol
CID 106440947
1-[1-(3-Chloro-2-methylprop-2-enyl)azepan-2-yl]propan-2-ol
CID 106440950
2-[1-(3-Chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 106440951
1-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]propan-2-ol
CID 112417133
1-[1-(2-Chloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol
CID 112417749

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol (CID 106440949) is 1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol is CC(=CCl)CN1CCCC1CC(C)O.
What is the InChIKey of 1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is BGIKAVGUHGIORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-9(7-12)8-13-5-3-4-11(13)6-10(2)14/h7,10-11,14H,3-6,8H2,1-2H3.
What are the key properties of 1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol?
1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 217.74 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 106440949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).