ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine

C27H43N — CID 145243190

IUPACethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine
SMILESC=Cc1c(=C/CC)/c(=C\C)n2c(/C=C\CCC)c(C)/c(=C/CC)c12.CC.CC
InChIInChI=1S/C23H31N.2C2H6/c1-7-12-13-16-22-17(6)19(14-8-2)23-18(10-4)20(15-9-3)21(11-5)24(22)23;2*1-2/h10-11,13-16H,4,7-9,12H2,1-3,5-6H3;2*1-2H3/b16-13-,19-14-,20-15-,21-11+;;
InChIKeyBWBYLFDEAPXMIA-VZRKGQLHSA-N
MW381.65 g/mol
LogP6.66
Rot. Bonds6

About ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine

ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine (PubChem CID 145243190) has the molecular formula C27H43N and a molecular weight of 381.65 g/mol. Its IUPAC name is ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine.

Molecular Properties

Compound Nameethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine
PubChem CID145243190
Molecular FormulaC27H43N
Molecular Weight381.65 g/mol
Exact Mass381.34
IUPAC Nameethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine
SMILESC=Cc1c(=C/CC)/c(=C\C)n2c(/C=C\CCC)c(C)/c(=C/CC)c12.CC.CC
InChIInChI=1S/C23H31N.2C2H6/c1-7-12-13-16-22-17(6)19(14-8-2)23-18(10-4)20(15-9-3)21(11-5)24(22)23;2*1-2/h10-11,13-16H,4,7-9,12H2,1-3,5-6H3;2*1-2H3/b16-13-,19-14-,20-15-,21-11+;;
InChIKeyBWBYLFDEAPXMIA-VZRKGQLHSA-N
XLogP6.66
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine?
The IUPAC name of ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine (CID 145243190) is ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine.
What is the SMILES notation for ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine?
The canonical SMILES for ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine is C=Cc1c(=C/CC)/c(=C\C)n2c(/C=C\CCC)c(C)/c(=C/CC)c12.CC.CC.
What is the InChIKey of ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine?
The InChIKey is BWBYLFDEAPXMIA-VZRKGQLHSA-N. The full InChI is InChI=1S/C23H31N.2C2H6/c1-7-12-13-16-22-17(6)19(14-8-2)23-18(10-4)20(15-9-3)21(11-5)24(22)23;2*1-2/h10-11,13-16H,4,7-9,12H2,1-3,5-6H3;2*1-2H3/b16-13-,19-14-,20-15-,21-11+;;.
What are the key properties of ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine?
ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine has a molecular weight of 381.65 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine is sourced from PubChem (CID 145243190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).