3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol

C11H14N2O — CID 65174180

IUPAC3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol
SMILESCc1ccnc(N)c1C1=CC(O)CC1
InChIInChI=1S/C11H14N2O/c1-7-4-5-13-11(12)10(7)8-2-3-9(14)6-8/h4-6,9,14H,2-3H2,1H3,(H2,12,13)
InChIKeyITWCYVNBPNQHLI-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.51
Rot. Bonds1

About 3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol

3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol (PubChem CID 65174180) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol
PubChem CID65174180
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol
SMILESCc1ccnc(N)c1C1=CC(O)CC1
InChIInChI=1S/C11H14N2O/c1-7-4-5-13-11(12)10(7)8-2-3-9(14)6-8/h4-6,9,14H,2-3H2,1H3,(H2,12,13)
InChIKeyITWCYVNBPNQHLI-UHFFFAOYSA-N
XLogP1.51
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol?
The IUPAC name of 3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol (CID 65174180) is 3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol.
What is the SMILES notation for 3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol?
The canonical SMILES for 3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol is Cc1ccnc(N)c1C1=CC(O)CC1.
What is the InChIKey of 3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol?
The InChIKey is ITWCYVNBPNQHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-4-5-13-11(12)10(7)8-2-3-9(14)6-8/h4-6,9,14H,2-3H2,1H3,(H2,12,13).
What are the key properties of 3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol?
3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol has a molecular weight of 190.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methyl-3-pyridinyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 65174180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).