(1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine

C11H11ClN2 — CID 131048155

IUPAC(1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C11H11ClN2/c1-2-9(13)11-6-7-8(12)4-3-5-10(7)14-11/h2-6,9,14H,1,13H2/t9-/m1/s1
InChIKeyPYLKJZKKFCIAHQ-SECBINFHSA-N
MW206.68 g/mol
LogP3.01
Rot. Bonds2

About (1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine

(1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine (PubChem CID 131048155) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is (1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine
PubChem CID131048155
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name(1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C11H11ClN2/c1-2-9(13)11-6-7-8(12)4-3-5-10(7)14-11/h2-6,9,14H,1,13H2/t9-/m1/s1
InChIKeyPYLKJZKKFCIAHQ-SECBINFHSA-N
XLogP3.01
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.01
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

1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine
CID 130000362
1-(4-chloro-1H-indol-2-yl)-N-methylethanamine
CID 117194460
2,4-dichloro-1H-indole
CID 54192783
3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088597
(1S)-1-(3-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 55270391
2-[(1S)-1-aminoprop-2-enyl]-1H-indol-5-amine
CID 55272808
(1R)-1-(5-methyl-1H-indol-2-yl)prop-2-en-1-amine
CID 131036821
4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide
CID 110848091
4-(4-chloro-1H-indol-2-yl)aniline
CID 71602483
2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol
CID 130645432
4-chloro-2-[(E)-2-phenylethenyl]-1H-indole
CID 118657841
5-chloro-3-propan-2-yl-1H-quinolin-2-one
CID 138581131

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine (CID 131048155) is (1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine is C=C[C@@H](N)c1cc2c(Cl)cccc2[nH]1.
What is the InChIKey of (1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine?
The InChIKey is PYLKJZKKFCIAHQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-2-9(13)11-6-7-8(12)4-3-5-10(7)14-11/h2-6,9,14H,1,13H2/t9-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine?
(1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine has a molecular weight of 206.68 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-1H-indol-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 131048155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).