N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C17H24N2O — CID 106610262

IUPACN-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCCCN(CC1CCCN1)C(=O)C1Cc2ccccc21
InChIInChI=1S/C17H24N2O/c1-2-10-19(12-14-7-5-9-18-14)17(20)16-11-13-6-3-4-8-15(13)16/h3-4,6,8,14,16,18H,2,5,7,9-12H2,1H3
InChIKeyMBSYAZDMVHHMKT-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.32
Rot. Bonds5

About N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 106610262) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID106610262
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCCCN(CC1CCCN1)C(=O)C1Cc2ccccc21
InChIInChI=1S/C17H24N2O/c1-2-10-19(12-14-7-5-9-18-14)17(20)16-11-13-6-3-4-8-15(13)16/h3-4,6,8,14,16,18H,2,5,7,9-12H2,1H3
InChIKeyMBSYAZDMVHHMKT-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-N-(pyrrolidin-2-ylmethyl)cyclobutanecarboxamide
CID 106610516
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741
N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106609150
N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 106609122
N-(piperidin-2-ylmethyl)-N-propylcyclooctanecarboxamide
CID 106625676
N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106626211
5-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)oxolane-2-carboxamide
CID 106610382
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625638
N-ethyl-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113339452

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 106610262) is N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CCCN(CC1CCCN1)C(=O)C1Cc2ccccc21.
What is the InChIKey of N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is MBSYAZDMVHHMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-10-19(12-14-7-5-9-18-14)17(20)16-11-13-6-3-4-8-15(13)16/h3-4,6,8,14,16,18H,2,5,7,9-12H2,1H3.
What are the key properties of N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 106610262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).