1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione

C19H25NO3 — CID 58248576

IUPAC1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
SMILESO=C(CO)CCCCCC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H25NO3/c21-14-17(23)9-3-1-2-8-16(22)10-6-7-15-13-20-19-12-5-4-11-18(15)19/h4-5,11-13,20-21H,1-3,6-10,14H2
InChIKeyZWRMNKSHOSVOSI-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.57
Rot. Bonds11

About 1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione

1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione (PubChem CID 58248576) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione.

Molecular Properties

Compound Name1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
PubChem CID58248576
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
SMILESO=C(CO)CCCCCC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H25NO3/c21-14-17(23)9-3-1-2-8-16(22)10-6-7-15-13-20-19-12-5-4-11-18(15)19/h4-5,11-13,20-21H,1-3,6-10,14H2
InChIKeyZWRMNKSHOSVOSI-UHFFFAOYSA-N
XLogP3.57
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(1H-indol-3-yl)hexan-3-one
CID 58575746
4-(1H-indol-3-yl)butanamide
CID 588715
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CID 58248748
1-(1H-indol-3-yl)-9-propan-2-ylsulfonylnonan-4-one
CID 58145050
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
4-(1H-indol-3-yl)-1-phenylbutan-1-one
CID 101437539
S-amino 4-(1H-indol-3-yl)butanethioate
CID 87254354
2-aminoethanol;4-(1H-indol-3-yl)butanoic acid
CID 174964021
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one
CID 149029934
10-(1H-indol-3-yl)-1-pyridin-3-yldecan-3-one
CID 158901576

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione?
The IUPAC name of 1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione (CID 58248576) is 1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione.
What is the SMILES notation for 1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione?
The canonical SMILES for 1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione is O=C(CO)CCCCCC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione?
The InChIKey is ZWRMNKSHOSVOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-14-17(23)9-3-1-2-8-16(22)10-6-7-15-13-20-19-12-5-4-11-18(15)19/h4-5,11-13,20-21H,1-3,6-10,14H2.
What are the key properties of 1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione?
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione has a molecular weight of 315.41 g/mol, XLogP of 3.57, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione is sourced from PubChem (CID 58248576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).