2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol

C12H19NO — CID 164682085

IUPAC2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol
SMILESC=C(CC(O)C(C)(C)C)n1cccc1
InChIInChI=1S/C12H19NO/c1-10(13-7-5-6-8-13)9-11(14)12(2,3)4/h5-8,11,14H,1,9H2,2-4H3
InChIKeyITICATYXZVMELH-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.76
Rot. Bonds3

About 2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol

2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol (PubChem CID 164682085) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol
PubChem CID164682085
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol
SMILESC=C(CC(O)C(C)(C)C)n1cccc1
InChIInChI=1S/C12H19NO/c1-10(13-7-5-6-8-13)9-11(14)12(2,3)4/h5-8,11,14H,1,9H2,2-4H3
InChIKeyITICATYXZVMELH-UHFFFAOYSA-N
XLogP2.76
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol?
The IUPAC name of 2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol (CID 164682085) is 2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol.
What is the SMILES notation for 2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol?
The canonical SMILES for 2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol is C=C(CC(O)C(C)(C)C)n1cccc1.
What is the InChIKey of 2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol?
The InChIKey is ITICATYXZVMELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(13-7-5-6-8-13)9-11(14)12(2,3)4/h5-8,11,14H,1,9H2,2-4H3.
What are the key properties of 2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol?
2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol has a molecular weight of 193.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-pyrrol-1-ylhex-5-en-3-ol is sourced from PubChem (CID 164682085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).