ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole

C22H37N — CID 143759695

IUPACethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole
SMILESC/C=C(C)\C=c1/c(=C\C)n(C)c2ccccc12.CC.CC.CC
InChIInChI=1S/C16H19N.3C2H6/c1-5-12(3)11-14-13-9-7-8-10-16(13)17(4)15(14)6-2;3*1-2/h5-11H,1-4H3;3*1-2H3/b12-5-,14-11-,15-6+;;;
InChIKeyKKDJWMVDQKMXEX-OKVIHCMPSA-N
MW315.55 g/mol
LogP5.80
Rot. Bonds1

About ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole

ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole (PubChem CID 143759695) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole.

Molecular Properties

Compound Nameethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole
PubChem CID143759695
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC Nameethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole
SMILESC/C=C(C)\C=c1/c(=C\C)n(C)c2ccccc12.CC.CC.CC
InChIInChI=1S/C16H19N.3C2H6/c1-5-12(3)11-14-13-9-7-8-10-16(13)17(4)15(14)6-2;3*1-2/h5-11H,1-4H3;3*1-2H3/b12-5-,14-11-,15-6+;;;
InChIKeyKKDJWMVDQKMXEX-OKVIHCMPSA-N
XLogP5.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;9-methylcarbazole;triphenylene
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(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
ethane;9-hydroxycarbazole
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CID 71374474
ethane;1,2,9-trimethylcarbazole
CID 160838686
ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
(1Z)-1-ethylidene-2-methyl-3-methylideneisoindole
CID 137397306
ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
CID 144820845
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
CID 144783393

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole?
The IUPAC name of ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole (CID 143759695) is ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole.
What is the SMILES notation for ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole?
The canonical SMILES for ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole is C/C=C(C)\C=c1/c(=C\C)n(C)c2ccccc12.CC.CC.CC.
What is the InChIKey of ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole?
The InChIKey is KKDJWMVDQKMXEX-OKVIHCMPSA-N. The full InChI is InChI=1S/C16H19N.3C2H6/c1-5-12(3)11-14-13-9-7-8-10-16(13)17(4)15(14)6-2;3*1-2/h5-11H,1-4H3;3*1-2H3/b12-5-,14-11-,15-6+;;;.
What are the key properties of ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole?
ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole has a molecular weight of 315.55 g/mol, XLogP of 5.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole is sourced from PubChem (CID 143759695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).