(Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine

C14H16N2 — CID 171072973

IUPAC(Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine
SMILESC=C/C=N\c1c(C)c2ccccc2n1CC
InChIInChI=1S/C14H16N2/c1-4-10-15-14-11(3)12-8-6-7-9-13(12)16(14)5-2/h4,6-10H,1,5H2,2-3H3/b15-10-
InChIKeyZPMKIBDDBHXUCQ-GDNBJRDFSA-N
MW212.30 g/mol
LogP3.86
Rot. Bonds3

About (Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine

(Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine (PubChem CID 171072973) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine
PubChem CID171072973
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine
SMILESC=C/C=N\c1c(C)c2ccccc2n1CC
InChIInChI=1S/C14H16N2/c1-4-10-15-14-11(3)12-8-6-7-9-13(12)16(14)5-2/h4,6-10H,1,5H2,2-3H3/b15-10-
InChIKeyZPMKIBDDBHXUCQ-GDNBJRDFSA-N
XLogP3.86
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-1-ethyl-3-methylidene-2-prop-2-enylideneindole
CID 126631875
9-ethyl-2-methylcarbazole
CID 19788789
2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole
CID 137419756
N-(9-ethylcarbazol-3-yl)methanimine
CID 163885182
N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine
CID 78146609
N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine
CID 144914531
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
1-ethenyl-9-ethylpyrido[3,4-b]indole
CID 169091277
9H-carbazole;9-ethylcarbazole
CID 159391034
N-(9-ethylcarbazol-3-yl)-1-(3-methylphenyl)methanimine
CID 12752584
9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole
CID 102414026

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine?
The IUPAC name of (Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine (CID 171072973) is (Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine?
The canonical SMILES for (Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine is C=C/C=N\c1c(C)c2ccccc2n1CC.
What is the InChIKey of (Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine?
The InChIKey is ZPMKIBDDBHXUCQ-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H16N2/c1-4-10-15-14-11(3)12-8-6-7-9-13(12)16(14)5-2/h4,6-10H,1,5H2,2-3H3/b15-10-.
What are the key properties of (Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine?
(Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine has a molecular weight of 212.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine is sourced from PubChem (CID 171072973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).