N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide

C15H25NO2 — CID 110025920

IUPACN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide
SMILESCCC(C)=C(C)C(=O)NC1C2CCC(C2)C1CO
InChIInChI=1S/C15H25NO2/c1-4-9(2)10(3)15(18)16-14-12-6-5-11(7-12)13(14)8-17/h11-14,17H,4-8H2,1-3H3,(H,16,18)
InChIKeyGJXMHKGZQNTHTI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.26
Rot. Bonds4

About N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide

N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide (PubChem CID 110025920) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide
PubChem CID110025920
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide
SMILESCCC(C)=C(C)C(=O)NC1C2CCC(C2)C1CO
InChIInChI=1S/C15H25NO2/c1-4-9(2)10(3)15(18)16-14-12-6-5-11(7-12)13(14)8-17/h11-14,17H,4-8H2,1-3H3,(H,16,18)
InChIKeyGJXMHKGZQNTHTI-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.26
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

2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride
CID 110012669
2,3-dimethyl-4-oxo-4-(3-tricyclo[3.2.1.02,4]octanylamino)but-2-enoic acid
CID 114095399
1-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-thiophen-2-ylurea
CID 100893010
5-ethyl-N-[(1S,2S,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazole-2-carboxamide
CID 124731429
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136794911
5-bromo-N-[(1S,2R,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylfuran-2-carboxamide
CID 98234418
3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide
CID 110011782
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75393319
[3-(cyclobutylamino)-2-bicyclo[2.2.1]heptanyl]methanol
CID 130671349
tert-butyl N-[(1S,2S,3S,4R)-3-(2-oxoethyl)-2-bicyclo[2.2.1]heptanyl]carbamate
CID 90942911
1-[(4-fluorophenyl)methyl]-3-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]urea
CID 111434470
2-fluoro-6-hydroxy-N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 99786398

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide?
The IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide (CID 110025920) is N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide is CCC(C)=C(C)C(=O)NC1C2CCC(C2)C1CO.
What is the InChIKey of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide?
The InChIKey is GJXMHKGZQNTHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-9(2)10(3)15(18)16-14-12-6-5-11(7-12)13(14)8-17/h11-14,17H,4-8H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide?
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide has a molecular weight of 251.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2,3-dimethylpent-2-enamide is sourced from PubChem (CID 110025920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).