N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide

C15H19NO — CID 146094343

IUPACN-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide
SMILESC=CC(=O)N[C@H](C)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO/c1-3-15(17)16-11(2)9-12-7-8-13-5-4-6-14(13)10-12/h3,7-8,10-11H,1,4-6,9H2,2H3,(H,16,17)/t11-/m1/s1
InChIKeyAPHIOGVBAPCTQP-LLVKDONJSA-N
MW229.32 g/mol
LogP2.41
Rot. Bonds4

About N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide

N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide (PubChem CID 146094343) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide
PubChem CID146094343
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide
SMILESC=CC(=O)N[C@H](C)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO/c1-3-15(17)16-11(2)9-12-7-8-13-5-4-6-14(13)10-12/h3,7-8,10-11H,1,4-6,9H2,2H3,(H,16,17)/t11-/m1/s1
InChIKeyAPHIOGVBAPCTQP-LLVKDONJSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 129365471
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
N-[1-[4-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenyl]ethyl]prop-2-enamide
CID 154875394
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
N-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 82262476
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]cyclopropanamine
CID 82262583
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
methyl (2R)-2-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propanoate
CID 159670756
1-(2,3-dihydro-1H-inden-5-yl)-N-ethenyl-N-methylpropan-2-amine
CID 167310084
methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate
CID 82351467
N-(4-hydroxybutan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 81049521
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide?
The IUPAC name of N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide (CID 146094343) is N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide?
The canonical SMILES for N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide is C=CC(=O)N[C@H](C)Cc1ccc2c(c1)CCC2.
What is the InChIKey of N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide?
The InChIKey is APHIOGVBAPCTQP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-15(17)16-11(2)9-12-7-8-13-5-4-6-14(13)10-12/h3,7-8,10-11H,1,4-6,9H2,2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide?
N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide has a molecular weight of 229.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 146094343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).