N-(5-hydroxynaphthalen-1-yl)prop-2-enamide

C13H11NO2 — CID 43700254

IUPACN-(5-hydroxynaphthalen-1-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C13H11NO2/c1-2-13(16)14-11-7-3-6-10-9(11)5-4-8-12(10)15/h2-8,15H,1H2,(H,14,16)
InChIKeyFTVVQGKUJJVRFT-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.67
Rot. Bonds2

About N-(5-hydroxynaphthalen-1-yl)prop-2-enamide

N-(5-hydroxynaphthalen-1-yl)prop-2-enamide (PubChem CID 43700254) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(5-hydroxynaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-hydroxynaphthalen-1-yl)prop-2-enamide
PubChem CID43700254
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC NameN-(5-hydroxynaphthalen-1-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C13H11NO2/c1-2-13(16)14-11-7-3-6-10-9(11)5-4-8-12(10)15/h2-8,15H,1H2,(H,14,16)
InChIKeyFTVVQGKUJJVRFT-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-hydroxynaphthalen-1-yl)-N-(2-hydroxyphenyl)oxamide
CID 108509252
N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754
3-[(5-hydroxynaphthalen-1-yl)amino]-3-oxopropanoic acid
CID 62231947
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate
CID 18668271
N-[2-[[2-(prop-2-enoylamino)phenyl]disulfanyl]phenyl]prop-2-enamide
CID 91082426
4-[[5-(3-carboxylatoprop-2-enoylamino)naphthalen-1-yl]amino]-4-oxobut-2-enoate
CID 4092400
4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]-2-methylidenebutanoate
CID 18935952
formaldehyde;naphthalene-1,5-diol
CID 21419428
2-chloro-6-(prop-2-enoylamino)benzoic acid
CID 63723930
6-[(5-hydroxynaphthalen-1-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 45331621
(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide
CID 61180078

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxynaphthalen-1-yl)prop-2-enamide?
The IUPAC name of N-(5-hydroxynaphthalen-1-yl)prop-2-enamide (CID 43700254) is N-(5-hydroxynaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for N-(5-hydroxynaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for N-(5-hydroxynaphthalen-1-yl)prop-2-enamide is C=CC(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of N-(5-hydroxynaphthalen-1-yl)prop-2-enamide?
The InChIKey is FTVVQGKUJJVRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-2-13(16)14-11-7-3-6-10-9(11)5-4-8-12(10)15/h2-8,15H,1H2,(H,14,16).
What are the key properties of N-(5-hydroxynaphthalen-1-yl)prop-2-enamide?
N-(5-hydroxynaphthalen-1-yl)prop-2-enamide has a molecular weight of 213.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxynaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 43700254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).