N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C15H24N2O2 — CID 106612908

IUPACN-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(C1CC2C=CC1C2)N(CCO)CC1CCCN1
InChIInChI=1S/C15H24N2O2/c18-7-6-17(10-13-2-1-5-16-13)15(19)14-9-11-3-4-12(14)8-11/h3-4,11-14,16,18H,1-2,5-10H2
InChIKeyPLOSSRCBRJXHBX-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.77
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 106612908) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID106612908
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(C1CC2C=CC1C2)N(CCO)CC1CCCN1
InChIInChI=1S/C15H24N2O2/c18-7-6-17(10-13-2-1-5-16-13)15(19)14-9-11-3-4-12(14)8-11/h3-4,11-14,16,18H,1-2,5-10H2
InChIKeyPLOSSRCBRJXHBX-UHFFFAOYSA-N
XLogP0.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106612534
N,N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 15204421
2-cyclohexyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612848
N-ethyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106629590
N-(2-hydroxyethyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
CID 106613006
N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612681
N-(2-hydroxyethyl)-3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612468
2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107725339
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclobutanecarboxamide
CID 106610516
N-cyclopropyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106628760
N-methyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106627975
5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 107963789

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 106612908) is N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(C1CC2C=CC1C2)N(CCO)CC1CCCN1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is PLOSSRCBRJXHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c18-7-6-17(10-13-2-1-5-16-13)15(19)14-9-11-3-4-12(14)8-11/h3-4,11-14,16,18H,1-2,5-10H2.
What are the key properties of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 106612908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).