2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine

C12H15N3 — CID 174934700

IUPAC2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine
SMILESC=CCc1ncccn1.Cc1ccc[nH]1
InChIInChI=1S/C7H8N2.C5H7N/c1-2-4-7-8-5-3-6-9-7;1-5-3-2-4-6-5/h2-3,5-6H,1,4H2;2-4,6H,1H3
InChIKeyNBGRTDPJLWMORS-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.53
Rot. Bonds2

About 2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine

2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine (PubChem CID 174934700) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine.

Molecular Properties

Compound Name2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine
PubChem CID174934700
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine
SMILESC=CCc1ncccn1.Cc1ccc[nH]1
InChIInChI=1S/C7H8N2.C5H7N/c1-2-4-7-8-5-3-6-9-7;1-5-3-2-4-6-5/h2-3,5-6H,1,4H2;2-4,6H,1H3
InChIKeyNBGRTDPJLWMORS-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enylpyrimidine
CID 20526273
2-methyl-1H-pyrrole;quinoline
CID 158830391
2-methyl-1H-pyrrole;molecular hydrogen
CID 142051873
2-prop-2-enyl-1H-pyrrole
CID 527534
3-methyl-2-prop-2-enylpyridine
CID 18185591
acetic acid;2-methyl-1H-pyrrole
CID 160915740
2-prop-2-enylpyridine
CID 3015241
carbamodithioic acid;2-methyl-1H-pyrrole
CID 175439085
benzene;2-prop-2-enyl-1H-imidazole
CID 67424807
2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine
CID 138608442
2-prop-2-enyl-1H-imidazole;silane
CID 174842331
cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium
CID 174581939

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine?
The IUPAC name of 2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine (CID 174934700) is 2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine.
What is the SMILES notation for 2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine?
The canonical SMILES for 2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine is C=CCc1ncccn1.Cc1ccc[nH]1.
What is the InChIKey of 2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine?
The InChIKey is NBGRTDPJLWMORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.C5H7N/c1-2-4-7-8-5-3-6-9-7;1-5-3-2-4-6-5/h2-3,5-6H,1,4H2;2-4,6H,1H3.
What are the key properties of 2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine?
2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine has a molecular weight of 201.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine is sourced from PubChem (CID 174934700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).