1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane

C17H27N — CID 144783393

IUPAC1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
SMILESC/C=C\c1c(C)c2ccccc2n1C.CC.CC
InChIInChI=1S/C13H15N.2C2H6/c1-4-7-12-10(2)11-8-5-6-9-13(11)14(12)3;2*1-2/h4-9H,1-3H3;2*1-2H3/b7-4-;;
InChIKeyJGCMWZIWDHGXTG-XIFWRFGDSA-N
MW245.41 g/mol
LogP5.57
Rot. Bonds1

About 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane

1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane (PubChem CID 144783393) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane.

Molecular Properties

Compound Name1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
PubChem CID144783393
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
SMILESC/C=C\c1c(C)c2ccccc2n1C.CC.CC
InChIInChI=1S/C13H15N.2C2H6/c1-4-7-12-10(2)11-8-5-6-9-13(11)14(12)3;2*1-2/h4-9H,1-3H3;2*1-2H3/b7-4-;;
InChIKeyJGCMWZIWDHGXTG-XIFWRFGDSA-N
XLogP5.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
CID 144820845
ethane;1,2,3-trimethylindole
CID 91590745
1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane
CID 145463492
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile
CID 146280531
3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one
CID 134893149
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
ethane;bis(9-methylcarbazole)
CID 159710949
2,9-dimethyl-1-[(Z)-prop-1-enyl]carbazole
CID 163717056
ethane;9-methylcarbazole;triphenylene
CID 142356751
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
[(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea
CID 107236483

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane?
The IUPAC name of 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane (CID 144783393) is 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane.
What is the SMILES notation for 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane?
The canonical SMILES for 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane is C/C=C\c1c(C)c2ccccc2n1C.CC.CC.
What is the InChIKey of 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane?
The InChIKey is JGCMWZIWDHGXTG-XIFWRFGDSA-N. The full InChI is InChI=1S/C13H15N.2C2H6/c1-4-7-12-10(2)11-8-5-6-9-13(11)14(12)3;2*1-2/h4-9H,1-3H3;2*1-2H3/b7-4-;;.
What are the key properties of 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane?
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane has a molecular weight of 245.41 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane is sourced from PubChem (CID 144783393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).