N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide

C14H16N2O2 — CID 129431579

IUPACN-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide
SMILESO=C(NN=C1C[C@H]2CC[C@H]1C2)c1ccc(O)cc1
InChIInChI=1S/C14H16N2O2/c17-12-5-3-10(4-6-12)14(18)16-15-13-8-9-1-2-11(13)7-9/h3-6,9,11,17H,1-2,7-8H2,(H,16,18)/t9-,11-/m0/s1
InChIKeyGTOJNROBWPRSFC-ONGXEEELSA-N
MW244.29 g/mol
LogP2.30
Rot. Bonds2

About N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide

N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide (PubChem CID 129431579) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide
PubChem CID129431579
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide
SMILESO=C(NN=C1C[C@H]2CC[C@H]1C2)c1ccc(O)cc1
InChIInChI=1S/C14H16N2O2/c17-12-5-3-10(4-6-12)14(18)16-15-13-8-9-1-2-11(13)7-9/h3-6,9,11,17H,1-2,7-8H2,(H,16,18)/t9-,11-/m0/s1
InChIKeyGTOJNROBWPRSFC-ONGXEEELSA-N
XLogP2.30
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide
CID 4141533
N-[(E)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-4-(dimethylamino)benzamide
CID 28742334
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(dimethylamino)benzamide
CID 3343667
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide
CID 4251233
N-[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide
CID 98504378
N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4-dimethoxybenzamide
CID 129431197
N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide
CID 40554029
N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide
CID 98829133
N-[(E)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-5-methylthiophene-3-carboxamide
CID 27451247
N-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide
CID 4123679
N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide
CID 98289762
N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4,5-trimethoxybenzamide
CID 7308879

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide?
The IUPAC name of N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide (CID 129431579) is N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide.
What is the SMILES notation for N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide?
The canonical SMILES for N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide is O=C(NN=C1C[C@H]2CC[C@H]1C2)c1ccc(O)cc1.
What is the InChIKey of N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide?
The InChIKey is GTOJNROBWPRSFC-ONGXEEELSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-12-5-3-10(4-6-12)14(18)16-15-13-8-9-1-2-11(13)7-9/h3-6,9,11,17H,1-2,7-8H2,(H,16,18)/t9-,11-/m0/s1.
What are the key properties of N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide?
N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide has a molecular weight of 244.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide is sourced from PubChem (CID 129431579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).