2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride

C17H23ClN2O — CID 14069779

IUPAC2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride
SMILESC=CCn1cc(C(=O)C(C)(C)NCC)c2ccccc21.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-5-11-19-12-14(13-9-7-8-10-15(13)19)16(20)17(3,4)18-6-2;/h5,7-10,12,18H,1,6,11H2,2-4H3;1H
InChIKeyRMITXHZVWDYDAS-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.82
Rot. Bonds6

About 2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride

2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride (PubChem CID 14069779) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride
PubChem CID14069779
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride
SMILESC=CCn1cc(C(=O)C(C)(C)NCC)c2ccccc21.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-5-11-19-12-14(13-9-7-8-10-15(13)19)16(20)17(3,4)18-6-2;/h5,7-10,12,18H,1,6,11H2,2-4H3;1H
InChIKeyRMITXHZVWDYDAS-UHFFFAOYSA-N
XLogP3.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
CID 14069757
2-(1-prop-2-enylindol-3-yl)ethene-1,1,2-tricarbonitrile
CID 23880072
(4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone
CID 170857263
2-(3-acetylindol-1-yl)acetaldehyde
CID 130321343
methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
CID 2973654
N-(2-oxo-2-piperidin-1-ylethyl)-1-prop-2-enylindole-3-carboxamide
CID 47488355
1-prop-2-enyl-N-(1H-pyrazol-5-ylmethyl)indole-3-carboxamide
CID 56819715
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid
CID 3154371
2-(3-acetylindol-1-yl)-N-tert-butylacetamide
CID 972491
1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole
CID 135029119
1-prop-2-enylindole-3-sulfonyl chloride
CID 82915352
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(1-prop-2-enylindol-3-yl)methanone
CID 71886045

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride (CID 14069779) is 2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride is C=CCn1cc(C(=O)C(C)(C)NCC)c2ccccc21.Cl.
What is the InChIKey of 2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride?
The InChIKey is RMITXHZVWDYDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.ClH/c1-5-11-19-12-14(13-9-7-8-10-15(13)19)16(20)17(3,4)18-6-2;/h5,7-10,12,18H,1,6,11H2,2-4H3;1H.
What are the key properties of 2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride?
2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 14069779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).