CID 135044640

C9H9N2 — CID 135044640

IUPAC—
SMILES[NH]Cc1c[nH]c2ccccc12
InChIInChI=1S/C9H9N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10-11H,5H2
InChIKeyAQXPIGXRWQVYMQ-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.95
Rot. Bonds1

About CID 135044640

CID 135044640 (PubChem CID 135044640) has the molecular formula C9H9N2 and a molecular weight of 145.18 g/mol.

Molecular Properties

Compound NameCID 135044640
PubChem CID135044640
Molecular FormulaC9H9N2
Molecular Weight145.18 g/mol
Exact Mass145.08
IUPAC Name—
SMILES[NH]Cc1c[nH]c2ccccc12
InChIInChI=1S/C9H9N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10-11H,5H2
InChIKeyAQXPIGXRWQVYMQ-UHFFFAOYSA-N
XLogP1.95
TPSA39.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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3-ethyl-1H-indole;methanamine
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3-(1H-indol-3-yl)propane-1,1-diol
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4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
3-(1H-indol-3-yl)prop-1-en-1-one
CID 57177876
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
1-(1H-indol-3-yl)butan-2-amine
CID 8367
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
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Frequently Asked Questions

What is the IUPAC name of CID 135044640?
The IUPAC name of CID 135044640 (CID 135044640) is not available.
What is the SMILES notation for CID 135044640?
The canonical SMILES for CID 135044640 is [NH]Cc1c[nH]c2ccccc12.
What is the InChIKey of CID 135044640?
The InChIKey is AQXPIGXRWQVYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10-11H,5H2.
What are the key properties of CID 135044640?
CID 135044640 has a molecular weight of 145.18 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135044640 is sourced from PubChem (CID 135044640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).