8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole

C19H27NO — CID 58679466

IUPAC8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole
SMILESCCCC1(C(C)C)OCCc2c1[nH]c1c(CC)cccc21
InChIInChI=1S/C19H27NO/c1-5-11-19(13(3)4)18-16(10-12-21-19)15-9-7-8-14(6-2)17(15)20-18/h7-9,13,20H,5-6,10-12H2,1-4H3
InChIKeyDCKOWUQAWAFSAK-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.95
Rot. Bonds4

About 8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole

8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole (PubChem CID 58679466) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole.

Molecular Properties

Compound Name8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole
PubChem CID58679466
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole
SMILESCCCC1(C(C)C)OCCc2c1[nH]c1c(CC)cccc21
InChIInChI=1S/C19H27NO/c1-5-11-19(13(3)4)18-16(10-12-21-19)15-9-7-8-14(6-2)17(15)20-18/h7-9,13,20H,5-6,10-12H2,1-4H3
InChIKeyDCKOWUQAWAFSAK-UHFFFAOYSA-N
XLogP4.95
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

2-(8-ethyl-1-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
CID 11277657
2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
CID 10967690
2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
CID 688461
2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethyl butanoate
CID 25198887
sodium;2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid;hydride
CID 173052364
8-ethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-carboxylic acid
CID 69197395
pentyl 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate
CID 42613324
2-(5,7-diethyl-1,2,4,6-tetrahydrooxepino[4,5-b]indol-5-yl)acetic acid
CID 143265884
1,8-diethyl-6-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole
CID 59832089
2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-N-[heptyl(dimethyl)silyl]acetamide
CID 69423236
2-(8-phenyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
CID 10427904
2-[(1S)-5,6-dideuterio-7-methyl-1-propan-2-yl-8-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetaldehyde
CID 58329916

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole?
The IUPAC name of 8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole (CID 58679466) is 8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole.
What is the SMILES notation for 8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole?
The canonical SMILES for 8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole is CCCC1(C(C)C)OCCc2c1[nH]c1c(CC)cccc21.
What is the InChIKey of 8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole?
The InChIKey is DCKOWUQAWAFSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-5-11-19(13(3)4)18-16(10-12-21-19)15-9-7-8-14(6-2)17(15)20-18/h7-9,13,20H,5-6,10-12H2,1-4H3.
What are the key properties of 8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole?
8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole has a molecular weight of 285.43 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-propan-2-yl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indole is sourced from PubChem (CID 58679466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).