N-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide

C15H19NO2 — CID 2931372

IUPACN-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCC1CCCO1)C1CC1c1ccccc1
InChIInChI=1S/C15H19NO2/c17-15(16-10-12-7-4-8-18-12)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2,(H,16,17)
InChIKeyZVXNHYZKXBMGBJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.09
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide

N-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 2931372) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID2931372
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCC1CCCO1)C1CC1c1ccccc1
InChIInChI=1S/C15H19NO2/c17-15(16-10-12-7-4-8-18-12)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2,(H,16,17)
InChIKeyZVXNHYZKXBMGBJ-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide (CID 2931372) is N-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide is O=C(NCC1CCCO1)C1CC1c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is ZVXNHYZKXBMGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(16-10-12-7-4-8-18-12)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2,(H,16,17).
What are the key properties of N-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide?
N-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2931372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).