ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol

C15H27NO — CID 142428381

IUPACethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
SMILESC=CC1=C(/C=C\C)CCN(CC(C)O)C1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-4-6-13-7-8-14(9-11(3)15)10-12(13)5-2;1-2/h4-6,11,15H,2,7-10H2,1,3H3;1-2H3/b6-4-;
InChIKeySWZIJRFELMEDFB-YHSAGPEESA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds4

About ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol

ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol (PubChem CID 142428381) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol.

Molecular Properties

Compound Nameethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
PubChem CID142428381
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
SMILESC=CC1=C(/C=C\C)CCN(CC(C)O)C1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-4-6-13-7-8-14(9-11(3)15)10-12(13)5-2;1-2/h4-6,11,15H,2,7-10H2,1,3H3;1-2H3/b6-4-;
InChIKeySWZIJRFELMEDFB-YHSAGPEESA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The IUPAC name of ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol (CID 142428381) is ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol.
What is the SMILES notation for ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The canonical SMILES for ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol is C=CC1=C(/C=C\C)CCN(CC(C)O)C1.CC.
What is the InChIKey of ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
The InChIKey is SWZIJRFELMEDFB-YHSAGPEESA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-4-6-13-7-8-14(9-11(3)15)10-12(13)5-2;1-2/h4-6,11,15H,2,7-10H2,1,3H3;1-2H3/b6-4-;.
What are the key properties of ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol?
ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol has a molecular weight of 237.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol is sourced from PubChem (CID 142428381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).