(3S)-1,3-dimethyl-2-methylidene-3-propylindole

C14H19N — CID 15789536

IUPAC(3S)-1,3-dimethyl-2-methylidene-3-propylindole
SMILESC=C1N(C)c2ccccc2[C@]1(C)CCC
InChIInChI=1S/C14H19N/c1-5-10-14(3)11(2)15(4)13-9-7-6-8-12(13)14/h6-9H,2,5,10H2,1,3-4H3/t14-/m1/s1
InChIKeyGKZUGVPFUXMPBO-CQSZACIVSA-N
MW201.31 g/mol
LogP3.71
Rot. Bonds2

About (3S)-1,3-dimethyl-2-methylidene-3-propylindole

(3S)-1,3-dimethyl-2-methylidene-3-propylindole (PubChem CID 15789536) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (3S)-1,3-dimethyl-2-methylidene-3-propylindole.

Molecular Properties

Compound Name(3S)-1,3-dimethyl-2-methylidene-3-propylindole
PubChem CID15789536
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(3S)-1,3-dimethyl-2-methylidene-3-propylindole
SMILESC=C1N(C)c2ccccc2[C@]1(C)CCC
InChIInChI=1S/C14H19N/c1-5-10-14(3)11(2)15(4)13-9-7-6-8-12(13)14/h6-9H,2,5,10H2,1,3-4H3/t14-/m1/s1
InChIKeyGKZUGVPFUXMPBO-CQSZACIVSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethyl-2-methylidene-3-propylindole?
The IUPAC name of (3S)-1,3-dimethyl-2-methylidene-3-propylindole (CID 15789536) is (3S)-1,3-dimethyl-2-methylidene-3-propylindole.
What is the SMILES notation for (3S)-1,3-dimethyl-2-methylidene-3-propylindole?
The canonical SMILES for (3S)-1,3-dimethyl-2-methylidene-3-propylindole is C=C1N(C)c2ccccc2[C@]1(C)CCC.
What is the InChIKey of (3S)-1,3-dimethyl-2-methylidene-3-propylindole?
The InChIKey is GKZUGVPFUXMPBO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19N/c1-5-10-14(3)11(2)15(4)13-9-7-6-8-12(13)14/h6-9H,2,5,10H2,1,3-4H3/t14-/m1/s1.
What are the key properties of (3S)-1,3-dimethyl-2-methylidene-3-propylindole?
(3S)-1,3-dimethyl-2-methylidene-3-propylindole has a molecular weight of 201.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethyl-2-methylidene-3-propylindole is sourced from PubChem (CID 15789536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).