N-prop-2-enyl-1H-indol-2-amine

C11H12N2 — CID 70407223

IUPACN-prop-2-enyl-1H-indol-2-amine
SMILESC=CCNc1cc2ccccc2[nH]1
InChIInChI=1S/C11H12N2/c1-2-7-12-11-8-9-5-3-4-6-10(9)13-11/h2-6,8,12-13H,1,7H2
InChIKeyQYOLWAJPTJDZEZ-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.77
Rot. Bonds3

About N-prop-2-enyl-1H-indol-2-amine

N-prop-2-enyl-1H-indol-2-amine (PubChem CID 70407223) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-prop-2-enyl-1H-indol-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-1H-indol-2-amine
PubChem CID70407223
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC NameN-prop-2-enyl-1H-indol-2-amine
SMILESC=CCNc1cc2ccccc2[nH]1
InChIInChI=1S/C11H12N2/c1-2-7-12-11-8-9-5-3-4-6-10(9)13-11/h2-6,8,12-13H,1,7H2
InChIKeyQYOLWAJPTJDZEZ-UHFFFAOYSA-N
XLogP2.77
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine
CID 150229412
N-(1H-indol-2-yl)thiohydroxylamine
CID 152618520
N-prop-2-enyl-1H-benzimidazol-2-amine
CID 11171255
N-(1H-indol-2-yl)ethanesulfonamide
CID 70353498
1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea
CID 151637556
N-methoxy-1H-indol-2-amine;dihydrobromide
CID 140506917
2-amino-N-(1H-indol-2-yl)acetamide
CID 91622739
2-bromo-1H-indole;prop-2-enyl carbonochloridate
CID 175251296
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
N-prop-2-enylcinnolin-3-amine
CID 69404307
chloro N-(1H-indol-2-yl)carbamate
CID 174677081

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1H-indol-2-amine?
The IUPAC name of N-prop-2-enyl-1H-indol-2-amine (CID 70407223) is N-prop-2-enyl-1H-indol-2-amine.
What is the SMILES notation for N-prop-2-enyl-1H-indol-2-amine?
The canonical SMILES for N-prop-2-enyl-1H-indol-2-amine is C=CCNc1cc2ccccc2[nH]1.
What is the InChIKey of N-prop-2-enyl-1H-indol-2-amine?
The InChIKey is QYOLWAJPTJDZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-7-12-11-8-9-5-3-4-6-10(9)13-11/h2-6,8,12-13H,1,7H2.
What are the key properties of N-prop-2-enyl-1H-indol-2-amine?
N-prop-2-enyl-1H-indol-2-amine has a molecular weight of 172.23 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1H-indol-2-amine is sourced from PubChem (CID 70407223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).