5-methyl-3,4-dihydro-2H-pyrrol-3-ol

C5H9NO — CID 175914585

IUPAC5-methyl-3,4-dihydro-2H-pyrrol-3-ol
SMILESCC1=NCC(O)C1
InChIInChI=1S/C5H9NO/c1-4-2-5(7)3-6-4/h5,7H,2-3H2,1H3
InChIKeyMWBVGRPCUULVTO-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.21
Rot. Bonds

About 5-methyl-3,4-dihydro-2H-pyrrol-3-ol

5-methyl-3,4-dihydro-2H-pyrrol-3-ol (PubChem CID 175914585) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 5-methyl-3,4-dihydro-2H-pyrrol-3-ol.

Molecular Properties

Compound Name5-methyl-3,4-dihydro-2H-pyrrol-3-ol
PubChem CID175914585
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name5-methyl-3,4-dihydro-2H-pyrrol-3-ol
SMILESCC1=NCC(O)C1
InChIInChI=1S/C5H9NO/c1-4-2-5(7)3-6-4/h5,7H,2-3H2,1H3
InChIKeyMWBVGRPCUULVTO-UHFFFAOYSA-N
XLogP0.21
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-dihydro-2H-pyrrol-3-ol?
The IUPAC name of 5-methyl-3,4-dihydro-2H-pyrrol-3-ol (CID 175914585) is 5-methyl-3,4-dihydro-2H-pyrrol-3-ol.
What is the SMILES notation for 5-methyl-3,4-dihydro-2H-pyrrol-3-ol?
The canonical SMILES for 5-methyl-3,4-dihydro-2H-pyrrol-3-ol is CC1=NCC(O)C1.
What is the InChIKey of 5-methyl-3,4-dihydro-2H-pyrrol-3-ol?
The InChIKey is MWBVGRPCUULVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-4-2-5(7)3-6-4/h5,7H,2-3H2,1H3.
What are the key properties of 5-methyl-3,4-dihydro-2H-pyrrol-3-ol?
5-methyl-3,4-dihydro-2H-pyrrol-3-ol has a molecular weight of 99.13 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydro-2H-pyrrol-3-ol is sourced from PubChem (CID 175914585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).