(1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

C15H20N2O2 — CID 98532681

IUPAC(1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESC=CCNC(=O)[C@@H]1[C@H](C(=O)NCC=C)[C@H]2C=C[C@H]1C2
InChIInChI=1S/C15H20N2O2/c1-3-7-16-14(18)12-10-5-6-11(9-10)13(12)15(19)17-8-4-2/h3-6,10-13H,1-2,7-9H2,(H,16,18)(H,17,19)/t10-,11-,12-,13+/m0/s1
InChIKeyUTYILTQSWPUKME-ZDEQEGDKSA-N
MW260.34 g/mol
LogP1.03
Rot. Bonds6

About (1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

(1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (PubChem CID 98532681) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.

Molecular Properties

Compound Name(1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
PubChem CID98532681
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESC=CCNC(=O)[C@@H]1[C@H](C(=O)NCC=C)[C@H]2C=C[C@H]1C2
InChIInChI=1S/C15H20N2O2/c1-3-7-16-14(18)12-10-5-6-11(9-10)13(12)15(19)17-8-4-2/h3-6,10-13H,1-2,7-9H2,(H,16,18)(H,17,19)/t10-,11-,12-,13+/m0/s1
InChIKeyUTYILTQSWPUKME-ZDEQEGDKSA-N
XLogP1.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The IUPAC name of (1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (CID 98532681) is (1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.
What is the SMILES notation for (1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The canonical SMILES for (1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is C=CCNC(=O)[C@@H]1[C@H](C(=O)NCC=C)[C@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The InChIKey is UTYILTQSWPUKME-ZDEQEGDKSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-7-16-14(18)12-10-5-6-11(9-10)13(12)15(19)17-8-4-2/h3-6,10-13H,1-2,7-9H2,(H,16,18)(H,17,19)/t10-,11-,12-,13+/m0/s1.
What are the key properties of (1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
(1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is sourced from PubChem (CID 98532681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).