N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide

C18H24N2O — CID 86819492

IUPACN-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide
SMILESC=CCC1(C(=O)NC2CCN(c3ccccc3)C2)CCC1
InChIInChI=1S/C18H24N2O/c1-2-10-18(11-6-12-18)17(21)19-15-9-13-20(14-15)16-7-4-3-5-8-16/h2-5,7-8,15H,1,6,9-14H2,(H,19,21)
InChIKeyAWVUSCFSYWKVDR-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.13
Rot. Bonds5

About N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide

N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide (PubChem CID 86819492) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide
PubChem CID86819492
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide
SMILESC=CCC1(C(=O)NC2CCN(c3ccccc3)C2)CCC1
InChIInChI=1S/C18H24N2O/c1-2-10-18(11-6-12-18)17(21)19-15-9-13-20(14-15)16-7-4-3-5-8-16/h2-5,7-8,15H,1,6,9-14H2,(H,19,21)
InChIKeyAWVUSCFSYWKVDR-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
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 N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide?
The IUPAC name of N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide (CID 86819492) is N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide?
The canonical SMILES for N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide is C=CCC1(C(=O)NC2CCN(c3ccccc3)C2)CCC1.
What is the InChIKey of N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide?
The InChIKey is AWVUSCFSYWKVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-10-18(11-6-12-18)17(21)19-15-9-13-20(14-15)16-7-4-3-5-8-16/h2-5,7-8,15H,1,6,9-14H2,(H,19,21).
What are the key properties of N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide?
N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide is sourced from PubChem (CID 86819492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).