2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one

C14H19NO — CID 70558760

IUPAC2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one
SMILESO=C1CC=CC=C1CNC1CC2CCC1C2
InChIInChI=1S/C14H19NO/c16-14-4-2-1-3-12(14)9-15-13-8-10-5-6-11(13)7-10/h1-3,10-11,13,15H,4-9H2
InChIKeySHSGTSNJBFWVGV-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.22
Rot. Bonds3

About 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one

2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one (PubChem CID 70558760) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one
PubChem CID70558760
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one
SMILESO=C1CC=CC=C1CNC1CC2CCC1C2
InChIInChI=1S/C14H19NO/c16-14-4-2-1-3-12(14)9-15-13-8-10-5-6-11(13)7-10/h1-3,10-11,13,15H,4-9H2
InChIKeySHSGTSNJBFWVGV-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 23736358
N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 130636961
N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115886422
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 61309763
N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408115
2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid
CID 103254735
N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115968191
N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 105401525
(1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 98119416
N-[(2-methyltetrazol-5-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 107042445

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one?
The IUPAC name of 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one (CID 70558760) is 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one is O=C1CC=CC=C1CNC1CC2CCC1C2.
What is the InChIKey of 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one?
The InChIKey is SHSGTSNJBFWVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-4-2-1-3-12(14)9-15-13-8-10-5-6-11(13)7-10/h1-3,10-11,13,15H,4-9H2.
What are the key properties of 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one?
2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 70558760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).