4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole

C11H17N — CID 134425367

IUPAC4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole
SMILESC=CC1=C(/C=C\C)N(C)CC1C
InChIInChI=1S/C11H17N/c1-5-7-11-10(6-2)9(3)8-12(11)4/h5-7,9H,2,8H2,1,3-4H3/b7-5-
InChIKeyGIYZETRGEKEKRS-ALCCZGGFSA-N
MW163.26 g/mol
LogP2.58
Rot. Bonds2

About 4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole

4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole (PubChem CID 134425367) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole.

Molecular Properties

Compound Name4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole
PubChem CID134425367
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole
SMILESC=CC1=C(/C=C\C)N(C)CC1C
InChIInChI=1S/C11H17N/c1-5-7-11-10(6-2)9(3)8-12(11)4/h5-7,9H,2,8H2,1,3-4H3/b7-5-
InChIKeyGIYZETRGEKEKRS-ALCCZGGFSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The IUPAC name of 4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole (CID 134425367) is 4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole.
What is the SMILES notation for 4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The canonical SMILES for 4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole is C=CC1=C(/C=C\C)N(C)CC1C.
What is the InChIKey of 4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The InChIKey is GIYZETRGEKEKRS-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H17N/c1-5-7-11-10(6-2)9(3)8-12(11)4/h5-7,9H,2,8H2,1,3-4H3/b7-5-.
What are the key properties of 4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole has a molecular weight of 163.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole is sourced from PubChem (CID 134425367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).