heptane;1H-indole

C15H23N — CID 162212083

IUPACheptane;1H-indole
SMILESCCCCCCC.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C7H16/c1-2-4-8-7(3-1)5-6-9-8;1-3-5-7-6-4-2/h1-6,9H;3-7H2,1-2H3
InChIKeyZSZFBGOWMHPPTP-UHFFFAOYSA-N
MW217.36 g/mol
LogP5.14
Rot. Bonds4

About heptane;1H-indole

heptane;1H-indole (PubChem CID 162212083) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is heptane;1H-indole.

Molecular Properties

Compound Nameheptane;1H-indole
PubChem CID162212083
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Nameheptane;1H-indole
SMILESCCCCCCC.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C7H16/c1-2-4-8-7(3-1)5-6-9-8;1-3-5-7-6-4-2/h1-6,9H;3-7H2,1-2H3
InChIKeyZSZFBGOWMHPPTP-UHFFFAOYSA-N
XLogP5.14
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500217.36
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloropentane;1H-indole
CID 174343786
1H-indole;tributyl(ethyl)phosphanium
CID 158484132
bis(1H-indole);methanol
CID 70305490
ethane;1H-indole;methane
CID 169425426
1H-indole;dihydrochloride
CID 18796541
CID 174930358
CID 174930358
disodium;tris(1H-indole);sulfide
CID 67840647
cesium;1H-indole;hydroxide
CID 175329356
1H-indole;oxozinc
CID 174920230
1H-indole;propan-2-amine
CID 172785583
2-O-butyl 1-O-methyl oxalate;1H-indole
CID 19754418
butanoic acid;1H-indole;propanoic acid
CID 135353070

Frequently Asked Questions

What is the IUPAC name of heptane;1H-indole?
The IUPAC name of heptane;1H-indole (CID 162212083) is heptane;1H-indole.
What is the SMILES notation for heptane;1H-indole?
The canonical SMILES for heptane;1H-indole is CCCCCCC.c1ccc2[nH]ccc2c1.
What is the InChIKey of heptane;1H-indole?
The InChIKey is ZSZFBGOWMHPPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C7H16/c1-2-4-8-7(3-1)5-6-9-8;1-3-5-7-6-4-2/h1-6,9H;3-7H2,1-2H3.
What are the key properties of heptane;1H-indole?
heptane;1H-indole has a molecular weight of 217.36 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;1H-indole is sourced from PubChem (CID 162212083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).