N-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide

C15H15NO2 — CID 163287223

IUPACN-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(CC1=CCc2ccccc21)C(C)=O
InChIInChI=1S/C15H15NO2/c1-3-15(18)16(11(2)17)10-13-9-8-12-6-4-5-7-14(12)13/h3-7,9H,1,8,10H2,2H3
InChIKeyIEUOKRSQOLZLRB-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.19
Rot. Bonds3

About N-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide

N-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide (PubChem CID 163287223) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide
PubChem CID163287223
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC NameN-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(CC1=CCc2ccccc21)C(C)=O
InChIInChI=1S/C15H15NO2/c1-3-15(18)16(11(2)17)10-13-9-8-12-6-4-5-7-14(12)13/h3-7,9H,1,8,10H2,2H3
InChIKeyIEUOKRSQOLZLRB-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3H-inden-1-yl)-N,N-dimethylmethanamine
CID 20658444
acetic acid;3H-inden-1-ylmethanol
CID 71363289
3-but-3-enyl-1H-indene
CID 15878391
methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate
CID 58249638
3-(chloromethyl)-1H-indene
CID 55301076
1-(3H-inden-1-yl)-N-methylmethanamine
CID 105431281
3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene
CID 102489808
2,2-difluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]propanamide
CID 159817588
ethyl (2S)-2-acetamido-3-(3H-inden-1-yl)propanoate
CID 157471590
3-(2-bromopropyl)-1H-indene
CID 23559641
3-(2-cyclopropylethyl)-1H-indene
CID 163857034
2-(3H-inden-1-yl)-N-methylethanamine
CID 58164560

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide?
The IUPAC name of N-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide (CID 163287223) is N-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide?
The canonical SMILES for N-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide is C=CC(=O)N(CC1=CCc2ccccc21)C(C)=O.
What is the InChIKey of N-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide?
The InChIKey is IEUOKRSQOLZLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-15(18)16(11(2)17)10-13-9-8-12-6-4-5-7-14(12)13/h3-7,9H,1,8,10H2,2H3.
What are the key properties of N-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide?
N-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide has a molecular weight of 241.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide is sourced from PubChem (CID 163287223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).