1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone

C14H17NO — CID 82102300

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H17NO/c1-2-8-15-10-14(16)13-7-6-11-4-3-5-12(11)9-13/h2,6-7,9,15H,1,3-5,8,10H2
InChIKeyQIOJDSVXZITHDP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.13
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone (PubChem CID 82102300) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone
PubChem CID82102300
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H17NO/c1-2-8-15-10-14(16)13-7-6-11-4-3-5-12(11)9-13/h2,6-7,9,15H,1,3-5,8,10H2
InChIKeyQIOJDSVXZITHDP-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one
CID 94260534
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide
CID 78792080
2-(2-hydroxyethylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101380
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
CID 82113869
2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101388
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82102314
1-(2,3-dihydro-1H-inden-5-yl)-2-(furan-2-ylmethylamino)ethanone
CID 82102295
prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
CID 58125258
1-(3-fluoro-4-methylphenyl)-2-(prop-2-enylamino)ethanone
CID 107129792
2-(2,3-dihydro-1H-inden-5-yl)-N-prop-2-enylacetamide
CID 60645760
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)ethanone
CID 82261181
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone (CID 82102300) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone?
The InChIKey is QIOJDSVXZITHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-8-15-10-14(16)13-7-6-11-4-3-5-12(11)9-13/h2,6-7,9,15H,1,3-5,8,10H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone has a molecular weight of 215.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 82102300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).