3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole

C10H15N — CID 89404741

IUPAC3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole
SMILESCC/C=C\c1c(C)c[nH]c1C
InChIInChI=1S/C10H15N/c1-4-5-6-10-8(2)7-11-9(10)3/h5-7,11H,4H2,1-3H3/b6-5-
InChIKeyMFTXQGVZSDHHML-WAYWQWQTSA-N
MW149.24 g/mol
LogP3.05
Rot. Bonds2

About 3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole

3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole (PubChem CID 89404741) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole
PubChem CID89404741
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole
SMILESCC/C=C\c1c(C)c[nH]c1C
InChIInChI=1S/C10H15N/c1-4-5-6-10-8(2)7-11-9(10)3/h5-7,11H,4H2,1-3H3/b6-5-
InChIKeyMFTXQGVZSDHHML-WAYWQWQTSA-N
XLogP3.05
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole?
The IUPAC name of 3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole (CID 89404741) is 3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole?
The canonical SMILES for 3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole is CC/C=C\c1c(C)c[nH]c1C.
What is the InChIKey of 3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole?
The InChIKey is MFTXQGVZSDHHML-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H15N/c1-4-5-6-10-8(2)7-11-9(10)3/h5-7,11H,4H2,1-3H3/b6-5-.
What are the key properties of 3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole?
3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole has a molecular weight of 149.24 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-2,4-dimethyl-1H-pyrrole is sourced from PubChem (CID 89404741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).