4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole

C19H25NO — CID 143743834

IUPAC4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole
SMILESC=CC1=C(/C=C\C)C2CN(C)CC2C(C=C)=C(/C=C\C)O1
InChIInChI=1S/C19H25NO/c1-6-10-15-17-13-20(5)12-16(17)14(8-3)19(11-7-2)21-18(15)9-4/h6-11,16-17H,3-4,12-13H2,1-2,5H3/b10-6-,11-7-
InChIKeyNRUIFAREIQIXDM-SQXCDDPUSA-N
MW283.42 g/mol
LogP4.23
Rot. Bonds4

About 4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole

4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole (PubChem CID 143743834) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole.

Molecular Properties

Compound Name4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole
PubChem CID143743834
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole
SMILESC=CC1=C(/C=C\C)C2CN(C)CC2C(C=C)=C(/C=C\C)O1
InChIInChI=1S/C19H25NO/c1-6-10-15-17-13-20(5)12-16(17)14(8-3)19(11-7-2)21-18(15)9-4/h6-11,16-17H,3-4,12-13H2,1-2,5H3/b10-6-,11-7-
InChIKeyNRUIFAREIQIXDM-SQXCDDPUSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole?
The IUPAC name of 4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole (CID 143743834) is 4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole.
What is the SMILES notation for 4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole?
The canonical SMILES for 4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole is C=CC1=C(/C=C\C)C2CN(C)CC2C(C=C)=C(/C=C\C)O1.
What is the InChIKey of 4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole?
The InChIKey is NRUIFAREIQIXDM-SQXCDDPUSA-N. The full InChI is InChI=1S/C19H25NO/c1-6-10-15-17-13-20(5)12-16(17)14(8-3)19(11-7-2)21-18(15)9-4/h6-11,16-17H,3-4,12-13H2,1-2,5H3/b10-6-,11-7-.
What are the key properties of 4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole?
4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole has a molecular weight of 283.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(ethenyl)-2-methyl-5,8-bis[(Z)-prop-1-enyl]-1,3,3a,8a-tetrahydrooxepino[4,5-c]pyrrole is sourced from PubChem (CID 143743834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).