N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide

C13H21NO — CID 3824523

IUPACN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
SMILESC=CC(=O)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C13H21NO/c1-5-11(15)14-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3,(H,14,15)
InChIKeyYBIUHEWITUKHPU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.50
Rot. Bonds2

About N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide

N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide (PubChem CID 3824523) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
PubChem CID3824523
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
SMILESC=CC(=O)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C13H21NO/c1-5-11(15)14-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3,(H,14,15)
InChIKeyYBIUHEWITUKHPU-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.50
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

2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
1-[(1S,2R)-2-methylcyclopropyl]-3-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 124858894
N-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 2795155
2-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
CID 119264698
(2S)-2-hydroxy-3-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
CID 72947063
4-oxo-4-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoic acid
CID 906419
(2R)-2-methoxy-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 124865100
N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]adamantane-1-carboxamide
CID 162659483
4-oxo-4-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoate
CID 40569957
dimethyl-[3-oxo-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propyl]azanium
CID 23350702
dimethyl-[3-oxo-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propyl]azanium
CID 7376088
(1S,2R,4R)-1,7,7-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 98119738

Frequently Asked Questions

What is the IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide?
The IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide (CID 3824523) is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide.
What is the SMILES notation for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide?
The canonical SMILES for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide is C=CC(=O)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide?
The InChIKey is YBIUHEWITUKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-11(15)14-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3,(H,14,15).
What are the key properties of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide?
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide has a molecular weight of 207.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide is sourced from PubChem (CID 3824523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).