4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole

C23H28N2 — CID 160948660

IUPAC4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole
SMILESC=C1CC=Cc2c1ccn2C(C)C.CC(C)n1ccc2ccccc21
InChIInChI=1S/C12H15N.C11H13N/c1-9(2)13-8-7-11-10(3)5-4-6-12(11)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12/h4,6-9H,3,5H2,1-2H3;3-9H,1-2H3
InChIKeySVLPJBPIBLKXDA-UHFFFAOYSA-N
MW332.49 g/mol
LogP6.72
Rot. Bonds2

About 4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole

4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole (PubChem CID 160948660) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole.

Molecular Properties

Compound Name4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole
PubChem CID160948660
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole
SMILESC=C1CC=Cc2c1ccn2C(C)C.CC(C)n1ccc2ccccc21
InChIInChI=1S/C12H15N.C11H13N/c1-9(2)13-8-7-11-10(3)5-4-6-12(11)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12/h4,6-9H,3,5H2,1-2H3;3-9H,1-2H3
InChIKeySVLPJBPIBLKXDA-UHFFFAOYSA-N
XLogP6.72
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylethyl)indole
CID 145022878
1-[(2S)-butan-2-yl]indole
CID 124507288
1-(1-propan-2-ylindol-4-yl)ethanethiol
CID 135200256
1-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]indole
CID 15015376
1-[(2-chlorophenyl)-indol-1-ylmethyl]indole
CID 134133187
3-phenyl-1-propan-2-ylpyrrol-2-amine
CID 117222573
5-iodo-1-propan-2-ylindole
CID 135396038
N-butan-2-yl-2-indol-1-ylpropanamide
CID 113233604
6-(difluoromethyl)-1-propan-2-ylindole
CID 90162024
1-amino-5-[5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazol-3-yl]-4H-naphthalene-1-carbaldehyde
CID 135340412
1-(1-propan-2-ylindol-7-yl)ethanol
CID 115115001
1,5-di(propan-2-yl)pyrrolo[3,2-c]pyridin-5-ium
CID 129223790

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole?
The IUPAC name of 4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole (CID 160948660) is 4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole.
What is the SMILES notation for 4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole?
The canonical SMILES for 4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole is C=C1CC=Cc2c1ccn2C(C)C.CC(C)n1ccc2ccccc21.
What is the InChIKey of 4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole?
The InChIKey is SVLPJBPIBLKXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H13N/c1-9(2)13-8-7-11-10(3)5-4-6-12(11)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12/h4,6-9H,3,5H2,1-2H3;3-9H,1-2H3.
What are the key properties of 4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole?
4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole has a molecular weight of 332.49 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-propan-2-yl-5H-indole;1-propan-2-ylindole is sourced from PubChem (CID 160948660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).