(2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate

C19H21NO2 — CID 4191929

IUPAC(2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)ONC1=C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H21NO2/c21-18(7-6-13-4-2-1-3-5-13)22-20-19-16-9-14-8-15(11-16)12-17(19)10-14/h1-7,14-16,20H,8-12H2
InChIKeyKJJJQJDVJDSFQW-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.84
Rot. Bonds4

About (2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate

(2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate (PubChem CID 4191929) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate.

Molecular Properties

Compound Name(2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate
PubChem CID4191929
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)ONC1=C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H21NO2/c21-18(7-6-13-4-2-1-3-5-13)22-20-19-16-9-14-8-15(11-16)12-17(19)10-14/h1-7,14-16,20H,8-12H2
InChIKeyKJJJQJDVJDSFQW-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
(Z)-3-phenylprop-2-enoic acid
CID 5372954
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716
amino 3-phenylprop-2-enoate
CID 67189797
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
CID 131855579
CID 131855579
azane;3-phenylprop-2-enoic acid
CID 66894546
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900

Frequently Asked Questions

What is the IUPAC name of (2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate?
The IUPAC name of (2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate (CID 4191929) is (2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate.
What is the SMILES notation for (2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate?
The canonical SMILES for (2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)ONC1=C2CC3CC(C2)CC1C3.
What is the InChIKey of (2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate?
The InChIKey is KJJJQJDVJDSFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18(7-6-13-4-2-1-3-5-13)22-20-19-16-9-14-8-15(11-16)12-17(19)10-14/h1-7,14-16,20H,8-12H2.
What are the key properties of (2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate?
(2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate has a molecular weight of 295.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tricyclo[3.3.1.13,7]dec-1-enylamino) 3-phenylprop-2-enoate is sourced from PubChem (CID 4191929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).