4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine

C13H21N — CID 68303204

IUPAC4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
SMILESC/C=C\C1=C(CCNC1)/C=C\C(C)C
InChIInChI=1S/C13H21N/c1-4-5-13-10-14-9-8-12(13)7-6-11(2)3/h4-7,11,14H,8-10H2,1-3H3/b5-4-,7-6-
InChIKeyNBSGDJWPXACRHF-RZSVFLSASA-N
MW191.31 g/mol
LogP2.40
Rot. Bonds3

About 4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine

4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine (PubChem CID 68303204) has the molecular formula C13H21N and a molecular weight of 191.31 g/mol. Its IUPAC name is 4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
PubChem CID68303204
Molecular FormulaC13H21N
Molecular Weight191.31 g/mol
Exact Mass191.17
IUPAC Name4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
SMILESC/C=C\C1=C(CCNC1)/C=C\C(C)C
InChIInChI=1S/C13H21N/c1-4-5-13-10-14-9-8-12(13)7-6-11(2)3/h4-7,11,14H,8-10H2,1-3H3/b5-4-,7-6-
InChIKeyNBSGDJWPXACRHF-RZSVFLSASA-N
XLogP2.40
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity256

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine (CID 68303204) is 4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine is C/C=C\C1=C(CCNC1)/C=C\C(C)C.
What is the InChIKey of 4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is NBSGDJWPXACRHF-RZSVFLSASA-N. The full InChI is InChI=1S/C13H21N/c1-4-5-13-10-14-9-8-12(13)7-6-11(2)3/h4-7,11,14H,8-10H2,1-3H3/b5-4-,7-6-.
What are the key properties of 4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine?
4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 191.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-methylbut-1-enyl]-5-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 68303204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).