4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane

C12H23N — CID 142942599

IUPAC4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane
SMILESCC.CC/C=C\C1=C(C)N(C)CC1
InChIInChI=1S/C10H17N.C2H6/c1-4-5-6-10-7-8-11(3)9(10)2;1-2/h5-6H,4,7-8H2,1-3H3;1-2H3/b6-5-;
InChIKeyOEWPDIZYKNMSNQ-YSMBQZINSA-N
MW181.32 g/mol
LogP3.59
Rot. Bonds2

About 4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane

4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane (PubChem CID 142942599) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane
PubChem CID142942599
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane
SMILESCC.CC/C=C\C1=C(C)N(C)CC1
InChIInChI=1S/C10H17N.C2H6/c1-4-5-6-10-7-8-11(3)9(10)2;1-2/h5-6H,4,7-8H2,1-3H3;1-2H3/b6-5-;
InChIKeyOEWPDIZYKNMSNQ-YSMBQZINSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane?
The IUPAC name of 4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane (CID 142942599) is 4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane?
The canonical SMILES for 4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane is CC.CC/C=C\C1=C(C)N(C)CC1.
What is the InChIKey of 4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane?
The InChIKey is OEWPDIZYKNMSNQ-YSMBQZINSA-N. The full InChI is InChI=1S/C10H17N.C2H6/c1-4-5-6-10-7-8-11(3)9(10)2;1-2/h5-6H,4,7-8H2,1-3H3;1-2H3/b6-5-;.
What are the key properties of 4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane?
4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane has a molecular weight of 181.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-1,5-dimethyl-2,3-dihydropyrrole;ethane is sourced from PubChem (CID 142942599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).