(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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Related Compounds

Indoline
CID 10328
2-(Formylmethylene)-1,3,3-trimethylindoline
CID 1712851
1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
1,3,3-Trimethyl-2-methyleneindoline
CID 8351
N,N,2-Trimethylaniline
CID 11869
2-Methylindoline
CID 23305
3H-Indolium, 1,2,3,3-tetramethyl-, iodide (1:1)
CID 79454
1,1'-Diethyl-3,3,3',3'-tetramethylindocarbocyanine Iodide
CID 16212367
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride
CID 6540442
Benzenamine, N,N-diethyl-2-methyl-
CID 69075
1,3-Dihydro-1-methyl-2H-indole-2-thione
CID 26156
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944

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).