4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete

C8H13N — CID 91145943

IUPAC4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete
SMILESC/C=C(/C)C1=NCC1C
InChIInChI=1S/C8H13N/c1-4-6(2)8-7(3)5-9-8/h4,7H,5H2,1-3H3/b6-4-
InChIKeyPIAHMPRYFKDMGI-XQRVVYSFSA-N
MW123.20 g/mol
LogP2.04
Rot. Bonds1

About 4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete

4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete (PubChem CID 91145943) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete
PubChem CID91145943
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete
SMILESC/C=C(/C)C1=NCC1C
InChIInChI=1S/C8H13N/c1-4-6(2)8-7(3)5-9-8/h4,7H,5H2,1-3H3/b6-4-
InChIKeyPIAHMPRYFKDMGI-XQRVVYSFSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 101409054
CID 101409054
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6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
CID 135038641
3-methyl-5-[(1E,3E)-penta-1,3-dienyl]-3,4-dihydro-2H-pyrrole
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(4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole
CID 23252301
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
2,3,5-tri(propan-2-yl)-2H-pyrrole
CID 58164648
4-methyl-5-propan-2-yl-2H-pyrrole
CID 58318552
4,5,6-Tri(propan-2-yl)-2,3-dihydropyridine
CID 58365477
4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
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3,5-di(propan-2-yl)-2H-pyrrole
CID 59519975

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete (CID 91145943) is 4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete is C/C=C(/C)C1=NCC1C.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete?
The InChIKey is PIAHMPRYFKDMGI-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6(2)8-7(3)5-9-8/h4,7H,5H2,1-3H3/b6-4-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete?
4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete has a molecular weight of 123.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]-3-methyl-2,3-dihydroazete is sourced from PubChem (CID 91145943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).