4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine

C16H21N — CID 146240099

IUPAC4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine
SMILESC=CC1=C(/C=C\C)N(CC)C(=C)C=C1C1CC1
InChIInChI=1S/C16H21N/c1-5-8-16-14(6-2)15(13-9-10-13)11-12(4)17(16)7-3/h5-6,8,11,13H,2,4,7,9-10H2,1,3H3/b8-5-
InChIKeyXPPHCGYNHOOEPY-YVMONPNESA-N
MW227.35 g/mol
LogP4.19
Rot. Bonds4

About 4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine

4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine (PubChem CID 146240099) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine.

Molecular Properties

Compound Name4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine
PubChem CID146240099
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine
SMILESC=CC1=C(/C=C\C)N(CC)C(=C)C=C1C1CC1
InChIInChI=1S/C16H21N/c1-5-8-16-14(6-2)15(13-9-10-13)11-12(4)17(16)7-3/h5-6,8,11,13H,2,4,7,9-10H2,1,3H3/b8-5-
InChIKeyXPPHCGYNHOOEPY-YVMONPNESA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine?
The IUPAC name of 4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine (CID 146240099) is 4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine.
What is the SMILES notation for 4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine?
The canonical SMILES for 4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine is C=CC1=C(/C=C\C)N(CC)C(=C)C=C1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine?
The InChIKey is XPPHCGYNHOOEPY-YVMONPNESA-N. The full InChI is InChI=1S/C16H21N/c1-5-8-16-14(6-2)15(13-9-10-13)11-12(4)17(16)7-3/h5-6,8,11,13H,2,4,7,9-10H2,1,3H3/b8-5-.
What are the key properties of 4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine?
4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine has a molecular weight of 227.35 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-ethenyl-1-ethyl-6-methylidene-2-[(Z)-prop-1-enyl]pyridine is sourced from PubChem (CID 146240099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).